2-[[1-[3-[(4-cyanophenyl)carbonylamino]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1,1-diphenyl-ethanolate

Systemtic Name: 2-[[1-[3-[(4-cyanophenyl)carbonylamino]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[1-[3-[(4-cyanobenzoyl)amino]propyl]quinuclidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[1-[3-[[(4-cyanophenyl)-oxomethyl]amino]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[[1-[3-[(4-cyanobenzoyl)amino]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxo-1,1-diphenylethanolate Traditional Name: 2-[1-[3-[(4-cyanobenzoyl)amino]propyl]quinuclidin-1-ium-3-yl]oxy-2-keto-1,1-diphenyl-ethanolate Formula: C32H33N3O4 MolecularWeight: 523.62212

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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=C(C=C5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C32H33N3O4/c33-22-24-12-14-26(15-13-24)30(36)34-18-7-19-35-20-16-25(17-21-35)29(23-35)39-31(37)32(38,27-8-3-1-4-9-27)28-10-5-2-6-11-28/h1-6,8-15,25,29H,7,16-21,23H2,(H,34,36)