2-(azepan-1-ium-1-yl)-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)acetamide Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCCC2)C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCCC2)C3CCCCC3)C

InChI

InChI=1S/C21H32N4O/c1-16-17(2)25(18-10-6-5-7-11-18)21(19(16)14-22)23-20(26)15-24-12-8-3-4-9-13-24/h18H,3-13,15H2,1-2H3,(H,23,26)/p+1