2-(azocan-1-ium-1-yl)-N-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[2-(2-methoxyanilino)-2-oxo-ethyl]-N-propyl-acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[2-keto-2-(o-anisidino)ethyl]-N-propyl-acetamide Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C21H33N3O3/c1-3-13-24(21(26)17-23-14-9-5-4-6-10-15-23)16-20(25)22-18-11-7-8-12-19(18)27-2/h7-8,11-12H,3-6,9-10,13-17H2,1-2H3,(H,22,25)/p+1