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

Systemtic Name: (8-hexyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: (8-hexyl-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-hexyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (8-hexyl-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-hexyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C28H38BrNO3 MolecularWeight: 516.51022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38NO3.BrH/c1-3-4-5-12-19-29(2)24-17-18-25(29)21-26(20-24)32-27(30)28(31,22-13-8-6-9-14-22)23-15-10-7-11-16-23;/h6-11,13-16,24-26,31H,3-5,12,17-21H2,1-2H3;1H/q+1;/p-1