[8-[(4-bromophenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [8-[(4-bromophenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-oxidanyl-2-phenyl-ethanoate Openeye Name: [8-[(4-bromophenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenyl-acetate CAS Name: 2-hydroxy-2-phenylacetic acid [8-[(4-bromophenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-[(4-bromophenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate Traditional Name: 2-hydroxy-2-phenyl-acetic acid [8-(4-bromobenzyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C23H27BrNO3+ MolecularWeight: 445.36938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)CC4=CC=C(C=C4)Br

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H27BrNO3/c1-25(15-16-7-9-18(24)10-8-16)19-11-12-20(25)14-21(13-19)28-23(27)22(26)17-5-3-2-4-6-17/h2-10,19-22,26H,11-15H2,1H3/q+1