[3,4-bis(oxidanyl)-4-oxidanylidene-3-phosphono-butyl]-ethyl-methyl-pentyl-azanium iodide

Systemtic Name: [3,4-bis(oxidanyl)-4-oxidanylidene-3-phosphono-butyl]-ethyl-methyl-pentyl-azanium iodide Openeye Name: (3,4-dihydroxy-4-oxo-3-phosphono-butyl)-ethyl-methyl-pentyl-ammonium iodide CAS Name: (3,4-dihydroxy-4-oxo-3-phosphonobutyl)-ethyl-methyl-pentylammonium iodide IUPAC Name: (3,4-dihydroxy-4-oxo-3-phosphonobutyl)-ethyl-methyl-pentylazanium iodide Traditional Name: amyl-(3,4-dihydroxy-4-keto-3-phosphono-butyl)-ethyl-methyl-ammonium iodide Formula: C12H27INO6P MolecularWeight: 439.224111

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](C)(CC)CCC(C(=O)O)(O)P(=O)(O)O.[I-]

Isomeric SMILES

CCCCC[N+](C)(CC)CCC(C(=O)O)(O)P(=O)(O)O.[I-]

InChI

InChI=1S/C12H26NO6P.HI/c1-4-6-7-9-13(3,5-2)10-8-12(16,11(14)15)20(17,18)19;/h16H,4-10H2,1-3H3,(H2-,14,15,17,18,19);1H