disodium [2-(1-methylpyridin-1-ium-3-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: disodium [2-(1-methylpyridin-1-ium-3-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: disodium [1-hydroxy-2-(1-methylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: disodium [1-hydroxy-2-(1-methyl-3-pyridin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: disodium [1-hydroxy-2-(1-methylpyridin-1-ium-3-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: disodium [1-hydroxy-2-(1-methylpyridin-1-ium-3-yl)-1-phosphono-ethyl]phosphonic acid Formula: C8H14NNa2O7P2+3 MolecularWeight: 344.126322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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