[3-(1-methylpyrimidin-1-ium-4-yl)-3-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(1-methylpyrimidin-1-ium-4-yl)-3-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-hydroxy-3-(1-methylpyrimidin-1-ium-4-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-hydroxy-3-(1-methyl-4-pyrimidin-1-iumyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-hydroxy-3-(1-methylpyrimidin-1-ium-4-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-hydroxy-3-(1-methylpyrimidin-1-ium-4-yl)-1-phosphono-propyl]phosphonic acid Formula: C8H15N2O7P2+ MolecularWeight: 313.161422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14N2O7P2/c1-10-3-2-6(9-5-10)7(11)4-8(18(12,13)14)19(15,16)17/h2-3,5,7-8,11H,4H2,1H3,(H3-,12,13,14,15,16,17)/p+1