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

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]-N-methyl-acetamide Formula: C19H29ClN3O3+ MolecularWeight: 382.90486

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C19H28ClN3O3/c1-22(19(25)14-23-10-6-4-3-5-7-11-23)13-18(24)21-16-12-15(20)8-9-17(16)26-2/h8-9,12H,3-7,10-11,13-14H2,1-2H3,(H,21,24)/p+1