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

Systemtic Name: ethyl 1-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(4-acetylanilino)-2-oxo-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-acetylanilino)-2-oxoethyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-acetylanilino)-2-oxoethyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-acetylanilino)-2-keto-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4/c1-3-30-23(29)24(20-7-5-4-6-8-20)13-15-26(16-14-24)17-22(28)25-21-11-9-19(10-12-21)18(2)27/h4-12H,3,13-17H2,1-2H3,(H,25,28)/p+1