[5-(hydroxymethyl)-2-methyl-pyridin-3-yl] hexanoate hydrochloride

Systemtic Name: [5-(hydroxymethyl)-2-methyl-pyridin-3-yl] hexanoate hydrochloride Openeye Name: [5-(hydroxymethyl)-2-methyl-3-pyridyl] hexanoate hydrochloride CAS Name: hexanoic acid [5-(hydroxymethyl)-2-methyl-3-pyridinyl] ester hydrochloride IUPAC Name: [5-(hydroxymethyl)-2-methylpyridin-3-yl] hexanoate hydrochloride Traditional Name: hexanoic acid (2-methyl-5-methylol-3-pyridyl) ester hydrochloride Formula: C13H20ClNO3 MolecularWeight: 273.7558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(N=CC(=C1)CO)C.Cl

Isomeric SMILES

CCCCCC(=O)OC1=C(N=CC(=C1)CO)C.Cl

InChI

InChI=1S/C13H19NO3.ClH/c1-3-4-5-6-13(16)17-12-7-11(9-15)8-14-10(12)2;/h7-8,15H,3-6,9H2,1-2H3;1H