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

Systemtic Name: 3-(1-methylpyridin-1-ium-2-yl)-2-oxidanyl-2-phosphono-propanoic acid iodide Openeye Name: 2-hydroxy-3-(1-methylpyridin-1-ium-2-yl)-2-phosphono-propanoic acid iodide CAS Name: 2-hydroxy-3-(1-methyl-2-pyridin-1-iumyl)-2-phosphonopropanoic acid iodide IUPAC Name: 2-hydroxy-3-(1-methylpyridin-1-ium-2-yl)-2-phosphonopropanoic acid iodide Traditional Name: 2-hydroxy-3-(1-methylpyridin-1-ium-2-yl)-2-phosphono-propionic acid iodide Formula: C9H13INO6P MolecularWeight: 389.080851

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CC(C(=O)O)(O)P(=O)(O)O.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1CC(C(=O)O)(O)P(=O)(O)O.[I-]

InChI

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