[2-methyl-2-(methylamino)-1-oxidanyl-1-phosphono-5-pyridin-2-yl-pentyl]phosphonic acid

Systemtic Name: [2-methyl-2-(methylamino)-1-oxidanyl-1-phosphono-5-pyridin-2-yl-pentyl]phosphonic acid Openeye Name: [1-hydroxy-2-methyl-2-(methylamino)-1-phosphono-5-(2-pyridyl)pentyl]phosphonic acid CAS Name: [1-hydroxy-2-methyl-2-(methylamino)-1-phosphono-5-(2-pyridinyl)pentyl]phosphonic acid IUPAC Name: [1-hydroxy-2-methyl-2-(methylamino)-1-phosphono-5-pyridin-2-ylpentyl]phosphonic acid Traditional Name: [1-hydroxy-2-methyl-2-(methylamino)-1-phosphono-5-(2-pyridyl)pentyl]phosphonic acid Formula: C12H22N2O7P2 MolecularWeight: 368.259802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=N1)(C(O)(P(=O)(O)O)P(=O)(O)O)NC

Isomeric SMILES

CC(CCCC1=CC=CC=N1)(C(O)(P(=O)(O)O)P(=O)(O)O)NC

InChI

InChI=1S/C12H22N2O7P2/c1-11(13-2,8-5-7-10-6-3-4-9-14-10)12(15,22(16,17)18)23(19,20)21/h3-4,6,9,13,15H,5,7-8H2,1-2H3,(H2,16,17,18)(H2,19,20,21)