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

Systemtic Name: [3,4-bis(oxidanyl)-4-oxidanylidene-3-phosphono-butyl]-ethyl-dimethyl-azanium iodide Openeye Name: (3,4-dihydroxy-4-oxo-3-phosphono-butyl)-ethyl-dimethyl-ammonium iodide CAS Name: (3,4-dihydroxy-4-oxo-3-phosphonobutyl)-ethyl-dimethylammonium iodide IUPAC Name: (3,4-dihydroxy-4-oxo-3-phosphonobutyl)-ethyl-dimethylazanium iodide Traditional Name: (3,4-dihydroxy-4-keto-3-phosphono-butyl)-ethyl-dimethyl-ammonium iodide Formula: C8H19INO6P MolecularWeight: 383.117791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18NO6P.HI/c1-4-9(2,3)6-5-8(12,7(10)11)16(13,14)15;/h12H,4-6H2,1-3H3,(H2-,10,11,13,14,15);1H