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

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-2-yl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic 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-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [1-(3-phenoxypropyl)quinuclidin-1-ium-2-yl] ester Formula: C30H34NO4+ MolecularWeight: 472.59526

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCCOC5=CC=CC=C5

InChI

InChI=1S/C30H34NO4/c32-29(30(33,25-11-4-1-5-12-25)26-13-6-2-7-14-26)35-28-23-24-17-20-31(28,21-18-24)19-10-22-34-27-15-8-3-9-16-27/h1-9,11-16,24,28,33H,10,17-23H2/q+1