(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C23H28BrNO3 MolecularWeight: 446.37732

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Br-]

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Br-]

InChI

InChI=1S/C23H28NO3.BrH/c1-24(2)19-13-14-20(24)16-21(15-19)27-22(25)23(26,17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12,19-21,26H,13-16H2,1-2H3;1H/q+1;/p-1