[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2,2-diphenylethanoate

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2,2-diphenylethanoate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl] 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic 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] 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl] ester Formula: C30H34NO3+ MolecularWeight: 456.59586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34NO3/c32-29(28(25-11-4-1-5-12-25)26-13-6-2-7-14-26)34-30-17-21-31(22-18-30,23-19-30)20-10-24-33-27-15-8-3-9-16-27/h1-9,11-16,28H,10,17-24H2/q+1