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

Systemtic Name: 2-[(1R)-1-methyl-1-(3-pyridin-3-ylpropyl)piperidin-1-ium-3-yl]oxy-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[(1R)-1-methyl-1-[3-(3-pyridyl)propyl]piperidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(1R)-1-methyl-1-[3-(3-pyridinyl)propyl]-3-piperidin-1-iumyl]oxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[(1R)-1-methyl-1-(3-pyridin-3-ylpropyl)piperidin-1-ium-3-yl]oxy-2-oxo-1,1-diphenylethanolate Traditional Name: 2-keto-2-[(1R)-1-methyl-1-[3-(3-pyridyl)propyl]piperidin-1-ium-3-yl]oxy-1,1-diphenyl-ethanolate Formula: C28H32N2O3 MolecularWeight: 444.56528

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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-])CCCC4=CN=CC=C4

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCCC4=CN=CC=C4

InChI

InChI=1S/C28H32N2O3/c1-30(19-9-12-23-11-8-18-29-21-23)20-10-17-26(22-30)33-27(31)28(32,24-13-4-2-5-14-24)25-15-6-3-7-16-25/h2-8,11,13-16,18,21,26H,9-10,12,17,19-20,22H2,1H3/t26?,30-/m1/s1