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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-[2-(2-methylanilino)-2-oxo-ethyl]-propyl-ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-[2-keto-2-(o-toluidino)ethyl]-propyl-ammonium Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC(=O)NC1=CC=CC=C1C)CC(=O)N2CCCCCC2

Isomeric SMILES

CCC[NH+](CC(=O)NC1=CC=CC=C1C)CC(=O)N2CCCCCC2

InChI

InChI=1S/C20H31N3O2/c1-3-12-22(16-20(25)23-13-8-4-5-9-14-23)15-19(24)21-18-11-7-6-10-17(18)2/h6-7,10-11H,3-5,8-9,12-16H2,1-2H3,(H,21,24)/p+1