2-acetamido-6-[3-(hydroxymethyl)-5-oxidanyl-pyridin-1-ium-1-yl]hexanoic acid chloride

Systemtic Name: 2-acetamido-6-[3-(hydroxymethyl)-5-oxidanyl-pyridin-1-ium-1-yl]hexanoic acid chloride Openeye Name: 2-acetamido-6-[3-hydroxy-5-(hydroxymethyl)pyridin-1-ium-1-yl]hexanoic acid chloride CAS Name: 2-acetamido-6-[3-hydroxy-5-(hydroxymethyl)-1-pyridin-1-iumyl]hexanoic acid chloride IUPAC Name: 2-acetamido-6-[3-hydroxy-5-(hydroxymethyl)pyridin-1-ium-1-yl]hexanoic acid chloride Traditional Name: 2-acetamido-6-(3-hydroxy-5-methylol-pyridin-1-ium-1-yl)hexanoic acid chloride Formula: C14H21ClN2O5 MolecularWeight: 332.77994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCC[N+]1=CC(=CC(=C1)O)CO)C(=O)O.[Cl-]

Isomeric SMILES

CC(=O)NC(CCCC[N+]1=CC(=CC(=C1)O)CO)C(=O)O.[Cl-]

InChI

InChI=1S/C14H20N2O5.ClH/c1-10(18)15-13(14(20)21)4-2-3-5-16-7-11(9-17)6-12(19)8-16;/h6-8,13,17H,2-5,9H2,1H3,(H2-,15,18,19,20,21);1H