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

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-1-yl 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: quinuclidin-1-ium-1-yl 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid 1-azoniabicyclo[2.2.2]octan-1-yl ester IUPAC Name: 1-azoniabicyclo[2.2.2]octan-1-yl 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid quinuclidin-1-ium-1-yl ester Formula: C21H24NO3+ MolecularWeight: 338.42016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

C1C[N+]2(CCC1CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C21H24NO3/c23-20(25-22-14-11-17(12-15-22)13-16-22)21(24,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,24H,11-16H2/q+1