[3,4-bis(oxidanyl)-4-oxidanylidene-3-phosphono-butyl]-(2-ethanoylsulfanylethyl)-methyl-pentyl-azanium bromide

Systemtic Name: [3,4-bis(oxidanyl)-4-oxidanylidene-3-phosphono-butyl]-(2-ethanoylsulfanylethyl)-methyl-pentyl-azanium bromide Openeye Name: 2-acetylsulfanylethyl-(3,4-dihydroxy-4-oxo-3-phosphono-butyl)-methyl-pentyl-ammonium bromide CAS Name: 2-(acetylthio)ethyl-(3,4-dihydroxy-4-oxo-3-phosphonobutyl)-methyl-pentylammonium bromide IUPAC Name: 2-acetylsulfanylethyl-(3,4-dihydroxy-4-oxo-3-phosphonobutyl)-methyl-pentylazanium bromide Traditional Name: 2-(acetylthio)ethyl-amyl-(3,4-dihydroxy-4-keto-3-phosphono-butyl)-methyl-ammonium bromide Formula: C14H29BrNO7PS MolecularWeight: 466.325321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](C)(CCC(C(=O)O)(O)P(=O)(O)O)CCSC(=O)C.[Br-]

Isomeric SMILES

CCCCC[N+](C)(CCC(C(=O)O)(O)P(=O)(O)O)CCSC(=O)C.[Br-]

InChI

InChI=1S/C14H28NO7PS.BrH/c1-4-5-6-8-15(3,10-11-24-12(2)16)9-7-14(19,13(17)18)23(20,21)22;/h19H,4-11H2,1-3H3,(H2-,17,18,20,21,22);1H