(9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate chloride

Systemtic Name: (9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate chloride Openeye Name: (9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2,2-diphenyl-acetate chloride CAS Name: 2-hydroxy-2,2-diphenylacetic acid (9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) ester chloride IUPAC Name: (9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2,2-diphenylacetate chloride Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) ester chloride Formula: C23H28ClNO3 MolecularWeight: 401.92632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C[NH+]1C2CCCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C23H27NO3.ClH/c1-24-19-13-8-14-20(24)16-21(15-19)27-22(25)23(26,17-9-4-2-5-10-17)18-11-6-3-7-12-18;/h2-7,9-12,19-21,26H,8,13-16H2,1H3;1H