6-(hydroxymethyl)-1-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)pyridin-1-ium-3-olate

Systemtic Name: 6-(hydroxymethyl)-1-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)pyridin-1-ium-3-olate Openeye Name: 1-(1-benzyl-2-hydroxy-2-oxo-ethyl)-6-(hydroxymethyl)pyridin-1-ium-3-olate CAS Name: 6-(hydroxymethyl)-1-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-3-pyridin-1-iumolate IUPAC Name: 6-(hydroxymethyl)-1-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)pyridin-1-ium-3-olate Traditional Name: 1-(1-benzyl-2-hydroxy-2-keto-ethyl)-6-methylol-pyridin-1-ium-3-olate Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)[N+]2=C(C=CC(=C2)[O-])CO

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)[N+]2=C(C=CC(=C2)[O-])CO

InChI

InChI=1S/C15H15NO4/c17-10-12-6-7-13(18)9-16(12)14(15(19)20)8-11-4-2-1-3-5-11/h1-7,9,14,17H,8,10H2,(H-,18,19,20)