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

Systemtic Name: [3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphono-propyl]phosphonic acid chloride Openeye Name: [3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphono-propyl]phosphonic acid chloride CAS Name: [3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphonopropyl]phosphonic acid chloride IUPAC Name: [3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphonopropyl]phosphonic acid chloride Traditional Name: [3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphono-propyl]phosphonic acid chloride Formula: C8H17ClN2O6P2 MolecularWeight: 334.630902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16N2O6P2.ClH/c1-10-6-2-5-9-7(10)3-4-8(17(11,12)13)18(14,15)16;/h2,5,8H,3-4,6H2,1H3,(H4,11,12,13,14,15,16);1H