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

Systemtic Name: [1-(3-azanylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [1-(3-aminopropyl)quinuclidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [1-(3-aminopropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(3-aminopropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [1-(3-aminopropyl)quinuclidin-1-ium-3-yl] ester Formula: C24H31N2O3+ MolecularWeight: 395.51454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N2O3/c25-14-7-15-26-16-12-19(13-17-26)22(18-26)29-23(27)24(28,20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,19,22,28H,7,12-18,25H2/q+1