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

Systemtic Name: [2-(1-methylpyrimidin-1-ium-4-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-(1-methylpyrimidin-1-ium-4-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-(1-methyl-4-pyrimidin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-(1-methylpyrimidin-1-ium-4-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-(1-methylpyrimidin-1-ium-4-yl)-1-phosphono-ethyl]phosphonic acid Formula: C7H13N2O7P2+ MolecularWeight: 299.134842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12N2O7P2/c1-9-3-2-6(8-5-9)4-7(10,17(11,12)13)18(14,15)16/h2-3,5,10H,4H2,1H3,(H3-,11,12,13,14,15,16)/p+1