(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-5-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-5-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-5-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-5-yl) ester bromide IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-5-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-5-yl) ester bromide Formula: C23H28BrNO3 MolecularWeight: 446.37732

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCCC1(CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Br-]

Isomeric SMILES

C[N+]1(C2CCCC1(CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Br-]

InChI

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