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

Systemtic Name: [1-(2-oxidanylidene-2-phenylazanyl-ethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [1-(2-anilino-2-oxo-ethyl)quinuclidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [1-(2-anilino-2-oxoethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(2-anilino-2-oxoethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [1-(2-anilino-2-keto-ethyl)quinuclidin-1-ium-3-yl] ester Formula: C29H31N2O4+ MolecularWeight: 471.56744

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C29H30N2O4/c32-27(30-25-14-8-3-9-15-25)21-31-18-16-22(17-19-31)26(20-31)35-28(33)29(34,23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-15,22,26,34H,16-21H2/p+1