[3-(4-methylpiperazin-1-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(4-methylpiperazin-1-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-(4-methylpiperazin-1-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-(4-methyl-1-piperazinyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-(4-methylpiperazin-1-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-(4-methylpiperazino)-1-phosphono-propyl]phosphonic acid Formula: C8H20N2O7P2 MolecularWeight: 318.201122

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN1CCN(CC1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H20N2O7P2/c1-9-4-6-10(7-5-9)3-2-8(11,18(12,13)14)19(15,16)17/h11H,2-7H2,1H3,(H2,12,13,14)(H2,15,16,17)