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

Systemtic Name: 2-[(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-(1-methylquinuclidin-1-ium-3-yl)oxy-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]-2-oxo-1,1-diphenylethanolate Traditional Name: 2-keto-2-(1-methylquinuclidin-1-ium-3-yl)oxy-1,1-diphenyl-ethanolate Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)[O-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H25NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20H,12-16H2,1H3