[2-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid chloride

Systemtic Name: [2-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid chloride Openeye Name: [1-hydroxy-2-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphono-ethyl]phosphonic acid chloride CAS Name: [1-hydroxy-2-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphonoethyl]phosphonic acid chloride IUPAC Name: [1-hydroxy-2-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphonoethyl]phosphonic acid chloride Traditional Name: [1-hydroxy-2-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphono-ethyl]phosphonic acid chloride Formula: C7H15ClN2O7P2 MolecularWeight: 336.603722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=CC1)CC(O)(P(=O)(O)O)P(=O)(O)O.[Cl-]

Isomeric SMILES

C[N+]1=C(NC=CC1)CC(O)(P(=O)(O)O)P(=O)(O)O.[Cl-]

InChI

InChI=1S/C7H14N2O7P2.ClH/c1-9-4-2-3-8-6(9)5-7(10,17(11,12)13)18(14,15)16;/h2-3,10H,4-5H2,1H3,(H4,11,12,13,14,15,16);1H