ethyl 1-(2-oxidanylidene-3,3-diphenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride

Systemtic Name: ethyl 1-(2-oxidanylidene-3,3-diphenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride Openeye Name: ethyl 1-(2-oxo-3,3-diphenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride CAS Name: 1-(2-oxo-3,3-diphenylpropyl)-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-(2-oxo-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride Traditional Name: 1-(2-keto-3,3-diphenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester chloride Formula: C29H32ClNO3 MolecularWeight: 478.02228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C29H31NO3.ClH/c1-2-33-28(32)29(25-16-10-5-11-17-25)18-20-30(21-19-29)22-26(31)27(23-12-6-3-7-13-23)24-14-8-4-9-15-24;/h3-17,27H,2,18-22H2,1H3;1H