2-(azepan-1-ium-1-yl)-N-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-ethyl-ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-ethyl-ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]-N-ethyl-acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylacetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylacetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]-N-ethyl-acetamide Formula: C19H29ClN3O2+ MolecularWeight: 366.90546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN3O2/c1-3-23(19(25)14-22-10-6-4-5-7-11-22)13-18(24)21-17-12-16(20)9-8-15(17)2/h8-9,12H,3-7,10-11,13-14H2,1-2H3,(H,21,24)/p+1