[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 3-oxidanyl-2,2-diphenyl-propanoate

Systemtic Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 3-oxidanyl-2,2-diphenyl-propanoate Openeye Name: [(3S)-quinuclidin-1-ium-3-yl] 3-hydroxy-2,2-diphenyl-propanoate CAS Name: 3-hydroxy-2,2-diphenylpropanoic acid [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 3-hydroxy-2,2-diphenylpropanoate Traditional Name: 3-hydroxy-2,2-diphenyl-propionic acid [(3S)-quinuclidin-1-ium-3-yl] ester Formula: C22H26NO3+ MolecularWeight: 352.44674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3/c24-16-22(18-7-3-1-4-8-18,19-9-5-2-6-10-19)21(25)26-20-15-23-13-11-17(20)12-14-23/h1-10,17,20,24H,11-16H2/p+1/t20-/m1/s1