2-(azepan-1-ium-1-yl)-N-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[2-(3,4-dichloroanilino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[2-(3,4-dichloroanilino)-2-keto-ethyl]-N-methyl-acetamide Formula: C17H24Cl2N3O2+ MolecularWeight: 373.29736

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CN(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C17H23Cl2N3O2/c1-21(17(24)12-22-8-4-2-3-5-9-22)11-16(23)20-13-6-7-14(18)15(19)10-13/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,20,23)/p+1