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

Systemtic Name: (6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: (6-methoxy-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 (6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (6-methoxy-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 (6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C24H30BrNO4 MolecularWeight: 476.4033

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CC(CC1C(C2)OC)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Br-]

Isomeric SMILES

C[N+]1(C2CC(CC1C(C2)OC)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Br-]

InChI

InChI=1S/C24H30NO4.BrH/c1-25(2)19-14-20(16-21(25)22(15-19)28-3)29-23(26)24(27,17-10-6-4-7-11-17)18-12-8-5-9-13-18;/h4-13,19-22,27H,14-16H2,1-3H3;1H/q+1;/p-1