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

Systemtic Name: (8-methyl-8-pentyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: (8-methyl-8-pentyl-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-pentyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (8-methyl-8-pentyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (8-amyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C27H36BrNO3 MolecularWeight: 502.48364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36NO3.BrH/c1-3-4-11-18-28(2)23-16-17-24(28)20-25(19-23)31-26(29)27(30,21-12-7-5-8-13-21)22-14-9-6-10-15-22;/h5-10,12-15,23-25,30H,3-4,11,16-20H2,1-2H3;1H/q+1;/p-1