[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium chloride

Systemtic Name: [5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium chloride Openeye Name: [3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyl-(4-hydroxy-4-oxo-butyl)ammonium chloride CAS Name: [3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl-(4-hydroxy-4-oxobutyl)ammonium chloride IUPAC Name: [3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl-(4-hydroxy-4-oxobutyl)azanium chloride Traditional Name: (4-hydroxy-4-keto-butyl)-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methyl]ammonium chloride Formula: C12H19ClN2O4 MolecularWeight: 290.74326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C[NH2+]CCCC(=O)O)CO.[Cl-]

Isomeric SMILES

CC1=NC=C(C(=C1O)C[NH2+]CCCC(=O)O)CO.[Cl-]

InChI

InChI=1S/C12H18N2O4.ClH/c1-8-12(18)10(9(7-15)5-14-8)6-13-4-2-3-11(16)17;/h5,13,15,18H,2-4,6-7H2,1H3,(H,16,17);1H