(1-phenyl-2-piperidin-1-ium-1-yl-ethyl) 2-oxidanyl-2,2-diphenyl-ethanoate chloride

Systemtic Name: (1-phenyl-2-piperidin-1-ium-1-yl-ethyl) 2-oxidanyl-2,2-diphenyl-ethanoate chloride Openeye Name: (1-phenyl-2-piperidin-1-ium-1-yl-ethyl) 2-hydroxy-2,2-diphenyl-acetate chloride CAS Name: 2-hydroxy-2,2-diphenylacetic acid [1-phenyl-2-(1-piperidin-1-iumyl)ethyl] ester chloride IUPAC Name: (1-phenyl-2-piperidin-1-ium-1-ylethyl) 2-hydroxy-2,2-diphenylacetate chloride Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (1-phenyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C27H30ClNO3 MolecularWeight: 451.985

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C2=CC=CC=C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC(C2=CC=CC=C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C27H29NO3.ClH/c29-26(27(30,23-15-7-2-8-16-23)24-17-9-3-10-18-24)31-25(22-13-5-1-6-14-22)21-28-19-11-4-12-20-28;/h1-3,5-10,13-18,25,30H,4,11-12,19-21H2;1H