[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)N2CCCCCC2

InChI

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