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

Systemtic Name: [8-methyl-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] 2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: (8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-hydroxy-2-phenylacetic acid [8-methyl-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] ester bromide IUPAC Name: (8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate bromide Traditional Name: 2-hydroxy-2-phenyl-acetic acid (8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C23H28BrNO3 MolecularWeight: 446.37732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28NO3.BrH/c1-24(16-17-8-4-2-5-9-17)19-12-13-20(24)15-21(14-19)27-23(26)22(25)18-10-6-3-7-11-18;/h2-11,19-22,25H,12-16H2,1H3;1H/q+1;/p-1