[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 3,3-diphenylpropanoate

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 3,3-diphenylpropanoate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl] 3,3-diphenylpropanoate CAS Name: 3,3-diphenylpropanoic acid [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] ester IUPAC Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 3,3-diphenylpropanoate Traditional Name: 3,3-diphenylpropionic acid [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl] ester Formula: C31H36NO3+ MolecularWeight: 470.62244

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)OC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)CCCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)CCCOC5=CC=CC=C5

InChI

InChI=1S/C31H36NO3/c33-30(25-29(26-11-4-1-5-12-26)27-13-6-2-7-14-27)35-31-17-21-32(22-18-31,23-19-31)20-10-24-34-28-15-8-3-9-16-28/h1-9,11-16,29H,10,17-25H2/q+1