2-(azepan-1-ium-1-yl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-acetamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C18H27N3O2/c1-15-7-9-16(10-8-15)19-17(22)13-20(2)18(23)14-21-11-5-3-4-6-12-21/h7-10H,3-6,11-14H2,1-2H3,(H,19,22)/p+1