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

Systemtic Name: [1-(3-benzamidopropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [1-(3-benzamidopropyl)quinuclidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [1-(3-benzamidopropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(3-benzamidopropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [1-(3-benzamidopropyl)quinuclidin-1-ium-3-yl] ester Formula: C31H35N2O4+ MolecularWeight: 499.6206

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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)CCCNC(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C31H34N2O4/c34-29(25-11-4-1-5-12-25)32-19-10-20-33-21-17-24(18-22-33)28(23-33)37-30(35)31(36,26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-9,11-16,24,28,36H,10,17-23H2/p+1