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

Systemtic Name: (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C24H30BrNO3 MolecularWeight: 460.4039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30NO3.BrH/c1-3-25(2)20-14-15-21(25)17-22(16-20)28-23(26)24(27,18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-13,20-22,27H,3,14-17H2,1-2H3;1H/q+1;/p-1