Chemical Components in the PDB

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SAZ : Summary

Code

SAZ

One-letter code

X

Molecule name

(1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM

Systematic names

ProgramVersionName
ACDLabs 10.04 (1R)-N,4-dimethyl-N-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-aminium
OpenEye OEToolkits 1.5.0 (S)-methyl-[(1R)-4-methyl-1-cyclohex-3-enyl]-(4-methylpent-3-enyl)azanium

Formula

C14 H26 N

Formal charge

1

Molecular weight

208.363 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 C1=C(C)CCC([NH+](C)CC\C=C(/C)C)C1
SMILES CACTVS 3.341 C[NH+](CCC=C(C)C)[CH]1CCC(=CC1)C
SMILES OpenEye OEToolkits 1.5.0 CC1=CCC(CC1)[NH+](C)CCC=C(C)C
Canonical SMILES CACTVS 3.341 C[NH+](CCC=C(C)C)[C@@H]1CCC(=CC1)C
Canonical SMILES OpenEye OEToolkits 1.5.0 CC1=CC[C@@H](CC1)[N@@H+](C)CCC=C(C)C

IUPAC InChI

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

GGPFTSMJRHEOJG-AWEZNQCLSA-O
SAZ

wwPDB Information

Atom count

41 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-03-04

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned