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SAZ : Summary
Code ![](/pdbe/static/images/help.png)
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SAZ
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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(1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C14 H26 N
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Formal charge ![](/pdbe/static/images/help.png)
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1
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Molecular weight ![](/pdbe/static/images/help.png)
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208.363 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
C1=C(C)CCC([NH+](C)CC\C=C(/C)C)C1 |
SMILES
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CACTVS |
3.341 |
C[NH+](CCC=C(C)C)[CH]1CCC(=CC1)C |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1=CCC(CC1)[NH+](C)CCC=C(C)C |
Canonical SMILES
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CACTVS |
3.341 |
C[NH+](CCC=C(C)C)[C@@H]1CCC(=CC1)C |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1=CC[C@@H](CC1)[N@@H+](C)CCC=C(C)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | GGPFTSMJRHEOJG-AWEZNQCLSA-O |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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41 (15 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2005-03-04
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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