[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2,2-diphenylpropanoate

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2,2-diphenylpropanoate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-2-yl] 2,2-diphenylpropanoate CAS Name: 2,2-diphenylpropanoic acid [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2,2-diphenylpropanoate Traditional Name: 2,2-diphenylpropionic acid [1-(3-phenoxypropyl)quinuclidin-1-ium-2-yl] ester Formula: C31H36NO3+ MolecularWeight: 470.62244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CC4CC[N+]3(CC4)CCCOC5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CC4CC[N+]3(CC4)CCCOC5=CC=CC=C5

InChI

InChI=1S/C31H36NO3/c1-31(26-12-5-2-6-13-26,27-14-7-3-8-15-27)30(33)35-29-24-25-18-21-32(29,22-19-25)20-11-23-34-28-16-9-4-10-17-28/h2-10,12-17,25,29H,11,18-24H2,1H3/q+1