2-(1,1-dimethylpiperidin-1-ium-3-yl)oxy-2-oxidanylidene-1,1-diphenyl-ethanolate

Systemtic Name: 2-(1,1-dimethylpiperidin-1-ium-3-yl)oxy-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-(1,1-dimethylpiperidin-1-ium-3-yl)oxy-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[(1,1-dimethyl-3-piperidin-1-iumyl)oxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-(1,1-dimethylpiperidin-1-ium-3-yl)oxy-2-oxo-1,1-diphenylethanolate Traditional Name: 2-(1,1-dimethylpiperidin-1-ium-3-yl)oxy-2-keto-1,1-diphenyl-ethanolate Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])C

Isomeric SMILES

C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])C

InChI

InChI=1S/C21H25NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19H,9,14-16H2,1-2H3