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

Systemtic Name: (8-heptyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: (8-heptyl-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-heptyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (8-heptyl-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-heptyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C29H40BrNO3 MolecularWeight: 530.5368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40NO3.BrH/c1-3-4-5-6-13-20-30(2)25-18-19-26(30)22-27(21-25)33-28(31)29(32,23-14-9-7-10-15-23)24-16-11-8-12-17-24;/h7-12,14-17,25-27,32H,3-6,13,18-22H2,1-2H3;1H/q+1;/p-1