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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C(CC3=CC=CC=C3)C4=CC=CC=C4)CCCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1C(C2)OC(=O)C(CC3=CC=CC=C3)C4=CC=CC=C4)CCCOC5=CC=CC=C5

InChI

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