sodium; ethanol; [3-[methyl(pentyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: sodium; ethanol; [3-[methyl(pentyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: sodium; ethanol; [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: sodium; ethanol; [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: sodium; ethanol; [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: sodium; [3-[amyl(methyl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid; ethanol Formula: C11H29NNaO8P2+ MolecularWeight: 388.287152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H23NO7P2.C2H6O.Na/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;1-2-3;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);3H,2H2,1H3;/q;;+1