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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CN=C1CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C[N+]1=CC=CN=C1CC(P(=O)(O)O)P(=O)(O)O

InChI

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