ethyl 1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(4-methylanilino)-2-oxo-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-methylanilino)-2-oxoethyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methylanilino)-2-oxoethyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(p-toluidino)ethyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-3-28-22(27)23(19-7-5-4-6-8-19)13-15-25(16-14-23)17-21(26)24-20-11-9-18(2)10-12-20/h4-12H,3,13-17H2,1-2H3,(H,24,26)/p+1