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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(3-cyano-4,5-dimethyl-2-thienyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(3-cyano-4,5-dimethyl-2-thiophenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(3-cyano-4,5-dimethyl-2-thienyl)acetamide Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3OS/c1-11-12(2)20-15(13(11)9-16)17-14(19)10-18-7-5-3-4-6-8-18/h3-8,10H2,1-2H3,(H,17,19)/p+1