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

Systemtic Name: [3-(1-methylpyrimidin-1-ium-4-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(1-methylpyrimidin-1-ium-4-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-(1-methyl-4-pyrimidin-1-iumyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(1-methylpyrimidin-1-ium-4-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(1-methylpyrimidin-1-ium-4-yl)-1-phosphono-propyl]phosphonic acid Formula: C8H15N2O6P2+ MolecularWeight: 297.162022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14N2O6P2/c1-10-5-4-7(9-6-10)2-3-8(17(11,12)13)18(14,15)16/h4-6,8H,2-3H2,1H3,(H3-,11,12,13,14,15,16)/p+1