sodium; [3-[methyl(pentyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid; propane-1,2-diol

Systemtic Name: sodium; [3-[methyl(pentyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid; propane-1,2-diol Openeye Name: sodium; [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphono-propyl]phosphonic acid; propane-1,2-diol CAS Name: sodium; [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid; propane-1,2-diol IUPAC Name: sodium; [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid; propane-1,2-diol Traditional Name: sodium; [3-[amyl(methyl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid; propane-1,2-diol Formula: C12H31NNaO9P2+ MolecularWeight: 418.313132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O.CC(CO)O.[Na+]

Isomeric SMILES

CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O.CC(CO)O.[Na+]

InChI

InChI=1S/C9H23NO7P2.C3H8O2.Na/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;1-3(5)2-4;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);3-5H,2H2,1H3;/q;;+1