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

Systemtic Name: 2-acetamido-6-[3-(hydroxymethyl)-5-methoxy-pyridin-1-ium-1-yl]hexanoic acid chloride Openeye Name: 2-acetamido-6-[3-(hydroxymethyl)-5-methoxy-pyridin-1-ium-1-yl]hexanoic acid chloride CAS Name: 2-acetamido-6-[3-(hydroxymethyl)-5-methoxy-1-pyridin-1-iumyl]hexanoic acid chloride IUPAC Name: 2-acetamido-6-[3-(hydroxymethyl)-5-methoxypyridin-1-ium-1-yl]hexanoic acid chloride Traditional Name: 2-acetamido-6-(3-methoxy-5-methylol-pyridin-1-ium-1-yl)hexanoic acid chloride Formula: C15H23ClN2O5 MolecularWeight: 346.80652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O5.ClH/c1-11(19)16-14(15(20)21)5-3-4-6-17-8-12(10-18)7-13(9-17)22-2;/h7-9,14,18H,3-6,10H2,1-2H3,(H-,16,19,20,21);1H