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

Systemtic Name: (1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl) 2-oxidanyl-2,2-diphenyl-ethanoate chloride Openeye Name: (1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl) 2-hydroxy-2,2-diphenyl-acetate chloride CAS Name: 2-hydroxy-2,2-diphenylacetic acid [1-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl] ester chloride IUPAC Name: (1-phenyl-2-pyrrolidin-1-ium-1-ylethyl) 2-hydroxy-2,2-diphenylacetate chloride Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl) ester chloride Formula: C26H28ClNO3 MolecularWeight: 437.95842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(C2=CC=CC=C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1CC[NH+](C1)CC(C2=CC=CC=C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C26H27NO3.ClH/c28-25(26(29,22-14-6-2-7-15-22)23-16-8-3-9-17-23)30-24(20-27-18-10-11-19-27)21-12-4-1-5-13-21;/h1-9,12-17,24,29H,10-11,18-20H2;1H