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

Systemtic Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,3-diphenyl-propanoate bromide Openeye Name: [(3R)-1-allylquinuclidin-1-ium-3-yl] 2-hydroxy-2,3-diphenyl-propanoate bromide CAS Name: 2-hydroxy-2,3-diphenylpropanoic acid [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester bromide IUPAC Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,3-diphenylpropanoate bromide Traditional Name: 2-hydroxy-2,3-diphenyl-propionic acid [(3R)-1-allylquinuclidin-1-ium-3-yl] ester bromide Formula: C25H30BrNO3 MolecularWeight: 472.4146

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]12CCC(CC1)C(C2)OC(=O)C(CC3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

C=CC[N+]12CCC(CC1)[C@H](C2)OC(=O)C(CC3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

InChI

InChI=1S/C25H30NO3.BrH/c1-2-15-26-16-13-21(14-17-26)23(19-26)29-24(27)25(28,22-11-7-4-8-12-22)18-20-9-5-3-6-10-20;/h2-12,21,23,28H,1,13-19H2;1H/q+1;/p-1/t21?,23-,25?,26?;/m0./s1