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

Systemtic Name: (8-methyl-8-octyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: (8-methyl-8-octyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid (8-methyl-8-octyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (8-methyl-8-octyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (8-methyl-8-octyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C30H42BrNO3 MolecularWeight: 544.56338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42NO3.BrH/c1-3-4-5-6-7-14-21-31(2)26-19-20-27(31)23-28(22-26)34-29(32)30(33,24-15-10-8-11-16-24)25-17-12-9-13-18-25;/h8-13,15-18,26-28,33H,3-7,14,19-23H2,1-2H3;1H/q+1;/p-1