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

Systemtic Name: 2-[[1-[3-[(2-methylpyridin-3-yl)carbonylamino]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[1-[3-[(2-methylpyridine-3-carbonyl)amino]propyl]quinuclidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[1-[3-[[(2-methyl-3-pyridinyl)-oxomethyl]amino]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[[1-[3-[(2-methylpyridine-3-carbonyl)amino]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxo-1,1-diphenylethanolate Traditional Name: 2-keto-2-[1-[3-[(2-methylnicotinoyl)amino]propyl]quinuclidin-1-ium-3-yl]oxy-1,1-diphenyl-ethanolate Formula: C31H35N3O4 MolecularWeight: 513.6273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(=O)NCCC[N+]23CCC(CC2)C(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)[O-]

Isomeric SMILES

CC1=C(C=CC=N1)C(=O)NCCC[N+]23CCC(CC2)C(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)[O-]

InChI

InChI=1S/C31H35N3O4/c1-23-27(14-8-17-32-23)29(35)33-18-9-19-34-20-15-24(16-21-34)28(22-34)38-30(36)31(37,25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-8,10-14,17,24,28H,9,15-16,18-22H2,1H3,(H,33,35)