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

Systemtic Name: 3-(1-methylpyridin-1-ium-2-yl)-2-oxidanyl-2-phosphono-propanoic acid Openeye Name: 2-hydroxy-3-(1-methylpyridin-1-ium-2-yl)-2-phosphono-propanoic acid CAS Name: 2-hydroxy-3-(1-methyl-2-pyridin-1-iumyl)-2-phosphonopropanoic acid IUPAC Name: 2-hydroxy-3-(1-methylpyridin-1-ium-2-yl)-2-phosphonopropanoic acid Traditional Name: 2-hydroxy-3-(1-methylpyridin-1-ium-2-yl)-2-phosphono-propionic acid Formula: C9H13NO6P+ MolecularWeight: 262.176381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12NO6P/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)/p+1