1-azoniabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2,2-diphenyl-ethanoate dibromide

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2,2-diphenyl-ethanoate dibromide Openeye Name: quinuclidin-1-ium-3-yl 2-hydroxy-2,2-diphenyl-acetate dibromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester dibromide IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate dibromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid quinuclidin-1-ium-3-yl ester dibromide Formula: C21H24Br2NO3- MolecularWeight: 498.22816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3.2BrH/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;2*1H/p-1