1-[2-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyridin-1-yl]propyl benzoate hydrochloride

Systemtic Name: 1-[2-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyridin-1-yl]propyl benzoate hydrochloride Openeye Name: 1-[3-hydroxy-2-(hydroxymethyl)-4-oxo-1-pyridyl]propyl benzoate hydrochloride CAS Name: benzoic acid 1-[3-hydroxy-2-(hydroxymethyl)-4-oxo-1-pyridinyl]propyl ester hydrochloride IUPAC Name: 1-[3-hydroxy-2-(hydroxymethyl)-4-oxopyridin-1-yl]propyl benzoate hydrochloride Traditional Name: benzoic acid 1-(3-hydroxy-4-keto-2-methylol-1-pyridyl)propyl ester hydrochloride Formula: C16H18ClNO5 MolecularWeight: 339.77082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C=CC(=O)C(=C1CO)O)OC(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

CCC(N1C=CC(=O)C(=C1CO)O)OC(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C16H17NO5.ClH/c1-2-14(22-16(21)11-6-4-3-5-7-11)17-9-8-13(19)15(20)12(17)10-18;/h3-9,14,18,20H,2,10H2,1H3;1H