2-[(1R)-1-methyl-1-(2-pyridin-4-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1,1-diphenyl-ethanolate

Systemtic Name: 2-[(1R)-1-methyl-1-(2-pyridin-4-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[(1R)-1-methyl-1-[2-(4-pyridyl)ethyl]piperidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(1R)-1-methyl-1-(2-pyridin-4-ylethyl)-3-piperidin-1-iumyl]oxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[(1R)-1-methyl-1-(2-pyridin-4-ylethyl)piperidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenylethanolate Traditional Name: 2-keto-2-[(1R)-1-methyl-1-[2-(4-pyridyl)ethyl]piperidin-1-ium-3-yl]oxy-1,1-diphenyl-ethanolate Formula: C27H30N2O3 MolecularWeight: 430.5387

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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-])CCC4=CC=NC=C4

Isomeric SMILES

C[N@@+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCC4=CC=NC=C4

InChI

InChI=1S/C27H30N2O3/c1-29(20-16-22-14-17-28-18-15-22)19-8-13-25(21-29)32-26(30)27(31,23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-15,17-18,25H,8,13,16,19-21H2,1H3/t25?,29-/m1/s1