[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate bromide

Systemtic Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: [(3R)-quinuclidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] ester bromide IUPAC Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(3R)-quinuclidin-1-ium-3-yl] ester bromide Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

InChI

InChI=1S/C21H23NO3.BrH/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,16,19,24H,11-15H2;1H/t19-;/m0./s1