[2-(1-methylpyridin-1-ium-4-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(1-methylpyridin-1-ium-4-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-(1-methylpyridin-1-ium-4-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-(1-methyl-4-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(1-methylpyridin-1-ium-4-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-(1-methylpyridin-1-ium-4-yl)-1-phosphono-ethyl]phosphonic acid Formula: C8H14NO7P2+ MolecularWeight: 298.146782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13NO7P2/c1-9-4-2-7(3-5-9)6-8(10,17(11,12)13)18(14,15)16/h2-5,10H,6H2,1H3,(H3-,11,12,13,14,15,16)/p+1