ethyl 1-[3-[(4-methoxyphenyl)amino]-3-oxidanylidene-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-[(4-methoxyphenyl)amino]-3-oxidanylidene-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(4-methoxyanilino)-3-oxo-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(4-methoxyanilino)-3-oxopropyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-methoxyanilino)-3-oxopropyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[3-keto-3-(p-anisidino)propyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCC(=O)NC2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCC(=O)NC2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O4/c1-3-30-23(28)24(19-7-5-4-6-8-19)14-17-26(18-15-24)16-13-22(27)25-20-9-11-21(29-2)12-10-20/h4-12H,3,13-18H2,1-2H3,(H,25,27)/p+1