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

Systemtic Name: sodium [3-[methyl(pentyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid hydrate Openeye Name: sodium [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphono-propyl]phosphonic acid hydrate CAS Name: sodium [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid hydrate IUPAC Name: sodium [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid hydrate Traditional Name: sodium [3-[amyl(methyl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid hydrate Formula: C9H25NNaO8P2+ MolecularWeight: 360.233992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H23NO7P2.Na.H2O/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;1H2/q;+1;