2-acetamido-4-[3-(hydroxymethyl)-5-oxidanyl-pyridin-1-ium-1-yl]butanoic acid chloride

Systemtic Name: 2-acetamido-4-[3-(hydroxymethyl)-5-oxidanyl-pyridin-1-ium-1-yl]butanoic acid chloride Openeye Name: 2-acetamido-4-[3-hydroxy-5-(hydroxymethyl)pyridin-1-ium-1-yl]butanoic acid chloride CAS Name: 2-acetamido-4-[3-hydroxy-5-(hydroxymethyl)-1-pyridin-1-iumyl]butanoic acid chloride IUPAC Name: 2-acetamido-4-[3-hydroxy-5-(hydroxymethyl)pyridin-1-ium-1-yl]butanoic acid chloride Traditional Name: 2-acetamido-4-(3-hydroxy-5-methylol-pyridin-1-ium-1-yl)butyric acid chloride Formula: C12H17ClN2O5 MolecularWeight: 304.72678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5.ClH/c1-8(16)13-11(12(18)19)2-3-14-5-9(7-15)4-10(17)6-14;/h4-6,11,15H,2-3,7H2,1H3,(H2-,13,16,17,18,19);1H