[3-[methyl(3-pyridin-3-ylpropyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[methyl(3-pyridin-3-ylpropyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[methyl-[3-(3-pyridyl)propyl]amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[methyl-[3-(3-pyridinyl)propyl]amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[methyl(3-pyridin-3-ylpropyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[methyl-[3-(3-pyridyl)propyl]amino]-1-phosphono-propyl]phosphonic acid Formula: C12H22N2O7P2 MolecularWeight: 368.259802

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CN=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(CCCC1=CN=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H22N2O7P2/c1-14(8-3-5-11-4-2-7-13-10-11)9-6-12(15,22(16,17)18)23(19,20)21/h2,4,7,10,15H,3,5-6,8-9H2,1H3,(H2,16,17,18)(H2,19,20,21)