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

Systemtic Name: [3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphono-propyl]phosphonic acid Formula: C8H17N2O6P2+ MolecularWeight: 299.177902

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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

Isomeric SMILES

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

InChI

InChI=1S/C8H16N2O6P2/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)/p+1