1-[[(3-methylpyridin-2-yl)amino]methyl-oxidanyl-phosphoryl]butylphosphonic acid

Systemtic Name: 1-[[(3-methylpyridin-2-yl)amino]methyl-oxidanyl-phosphoryl]butylphosphonic acid Openeye Name: 1-[hydroxy-[[(3-methyl-2-pyridyl)amino]methyl]phosphoryl]butylphosphonic acid CAS Name: 1-[hydroxy-[[(3-methyl-2-pyridinyl)amino]methyl]phosphoryl]butylphosphonic acid IUPAC Name: 1-[hydroxy-[[(3-methylpyridin-2-yl)amino]methyl]phosphoryl]butylphosphonic acid Traditional Name: 1-[hydroxy-[[(3-methyl-2-pyridyl)amino]methyl]phosphoryl]butylphosphonic acid Formula: C11H20N2O5P2 MolecularWeight: 322.234422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(P(=O)(CNC1=C(C=CC=N1)C)O)P(=O)(O)O

Isomeric SMILES

CCCC(P(=O)(CNC1=C(C=CC=N1)C)O)P(=O)(O)O

InChI

InChI=1S/C11H20N2O5P2/c1-3-5-10(20(16,17)18)19(14,15)8-13-11-9(2)6-4-7-12-11/h4,6-7,10H,3,5,8H2,1-2H3,(H,12,13)(H,14,15)(H2,16,17,18)