sodium [3-(dimethylamino)-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: sodium [3-(dimethylamino)-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: sodium [3-(dimethylamino)-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: sodium [3-(dimethylamino)-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: sodium [3-(dimethylamino)-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: sodium [3-(dimethylamino)-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C5H15NNaO7P2+ MolecularWeight: 286.112392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O.[Na+]

Isomeric SMILES

CN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O.[Na+]

InChI

InChI=1S/C5H15NO7P2.Na/c1-6(2)4-3-5(7,14(8,9)10)15(11,12)13;/h7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13);/q;+1