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BM0 : Summary
Code ![](/pdbe/static/images/help.png)
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BM0
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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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1-butyl-3-methyl-1H-imidazol-3-ium
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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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C8 H15 N2
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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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139.218 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 |
12.01 |
C(C)CCn1cc[n+](c1)C |
SMILES
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CACTVS |
3.385 |
CCCCn1cc[n+](C)c1 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
CCCCn1cc[n+](c1)C |
Canonical SMILES
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CACTVS |
3.385 |
CCCCn1cc[n+](C)c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
CCCCn1cc[n+](c1)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H15N2/c1-3-4-5-10-7-6-9(2)8-10/h6-8H,3-5H2,1-2H3/q+1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | IQQRAVYLUAZUGX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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25 (10 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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2015-07-24
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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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