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

Systemtic Name: 2-azanyl-4-[3-(hydroxymethyl)-5-oxidanyl-pyridin-1-ium-1-yl]butanoic acid chloride Openeye Name: 2-amino-4-[3-hydroxy-5-(hydroxymethyl)pyridin-1-ium-1-yl]butanoic acid chloride CAS Name: 2-amino-4-[3-hydroxy-5-(hydroxymethyl)-1-pyridin-1-iumyl]butanoic acid chloride IUPAC Name: 2-amino-4-[3-hydroxy-5-(hydroxymethyl)pyridin-1-ium-1-yl]butanoic acid chloride Traditional Name: 2-amino-4-(3-hydroxy-5-methylol-pyridin-1-ium-1-yl)butyric acid chloride Formula: C10H15ClN2O4 MolecularWeight: 262.6901

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=[N+](C=C1O)CCC(C(=O)O)N)CO.[Cl-]

Isomeric SMILES

C1=C(C=[N+](C=C1O)CCC(C(=O)O)N)CO.[Cl-]

InChI

InChI=1S/C10H14N2O4.ClH/c11-9(10(15)16)1-2-12-4-7(6-13)3-8(14)5-12;/h3-5,9,13H,1-2,6,11H2,(H-,14,15,16);1H