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

Systemtic Name: ethyl 1-(3-oxidanylidene-3-phenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride Openeye Name: ethyl 1-(3-oxo-3-phenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride CAS Name: 1-(3-oxo-3-phenylpropyl)-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-(3-oxo-3-phenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride Traditional Name: 1-(3-keto-3-phenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester chloride Formula: C23H28ClNO3 MolecularWeight: 401.92632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H27NO3.ClH/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19;/h3-12H,2,13-18H2,1H3;1H