[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 3-oxidanyl-3,3-diphenyl-propanoate

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 3-oxidanyl-3,3-diphenyl-propanoate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl] 3-hydroxy-3,3-diphenyl-propanoate CAS Name: 3-hydroxy-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-hydroxy-3,3-diphenylpropanoate Traditional Name: 3-hydroxy-3,3-diphenyl-propionic acid [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl] ester Formula: C31H36NO4+ MolecularWeight: 486.62184

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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)O)CCCOC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C31H36NO4/c33-29(25-31(34,26-11-4-1-5-12-26)27-13-6-2-7-14-27)36-30-17-21-32(22-18-30,23-19-30)20-10-24-35-28-15-8-3-9-16-28/h1-9,11-16,34H,10,17-25H2/q+1