3-(1-methylpyridin-1-ium-3-yl)-2-oxidanyl-2-phosphono-propanoic acid chloride

Systemtic Name: 3-(1-methylpyridin-1-ium-3-yl)-2-oxidanyl-2-phosphono-propanoic acid chloride Openeye Name: 2-hydroxy-3-(1-methylpyridin-1-ium-3-yl)-2-phosphono-propanoic acid chloride CAS Name: 2-hydroxy-3-(1-methyl-3-pyridin-1-iumyl)-2-phosphonopropanoic acid chloride IUPAC Name: 2-hydroxy-3-(1-methylpyridin-1-ium-3-yl)-2-phosphonopropanoic acid chloride Traditional Name: 2-hydroxy-3-(1-methylpyridin-1-ium-3-yl)-2-phosphono-propionic acid chloride Formula: C9H13ClNO6P MolecularWeight: 297.629381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12NO6P.ClH/c1-10-4-2-3-7(6-10)5-9(13,8(11)12)17(14,15)16;/h2-4,6,13H,5H2,1H3,(H2-,11,12,14,15,16);1H