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

Systemtic Name: [2-(1-methylpyrimidin-1-ium-4-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(1-methylpyrimidin-1-ium-4-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(1-methyl-4-pyrimidin-1-iumyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(1-methylpyrimidin-1-ium-4-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(1-methylpyrimidin-1-ium-4-yl)-1-phosphono-ethyl]phosphonic acid Formula: C7H13N2O6P2+ MolecularWeight: 283.135442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12N2O6P2/c1-9-3-2-6(8-5-9)4-7(16(10,11)12)17(13,14)15/h2-3,5,7H,4H2,1H3,(H3-,10,11,12,13,14,15)/p+1