ethyl 1-(3-oxidanylidene-3-phenylazanyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(3-oxidanylidene-3-phenylazanyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(3-anilino-3-oxo-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-(3-anilino-3-oxopropyl)-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-anilino-3-oxopropyl)-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-(3-anilino-3-keto-propyl)-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)CCC(=O)NC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-2-28-22(27)23(19-9-5-3-6-10-19)14-17-25(18-15-23)16-13-21(26)24-20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3,(H,24,26)/p+1