(9,9-dimethyl-3-oxa-9-azoniabicyclo[3.3.1]nonan-7-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide

Systemtic Name: (9,9-dimethyl-3-oxa-9-azoniabicyclo[3.3.1]nonan-7-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: (9,9-dimethyl-3-oxa-9-azoniabicyclo[3.3.1]nonan-7-yl) 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid (9,9-dimethyl-3-oxa-9-azoniabicyclo[3.3.1]nonan-7-yl) ester bromide IUPAC Name: (9,9-dimethyl-3-oxa-9-azoniabicyclo[3.3.1]nonan-7-yl) 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (9,9-dimethyl-3-oxa-9-azoniabicyclo[3.3.1]nonan-7-yl) ester bromide Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CC(CC1COC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Br-]

Isomeric SMILES

C[N+]1(C2CC(CC1COC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Br-]

InChI

InChI=1S/C23H28NO4.BrH/c1-24(2)19-13-21(14-20(24)16-27-15-19)28-22(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