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

Systemtic Name: [3,4-bis(oxidanyl)-4-oxidanylidene-3-phosphono-butyl]-(2-ethanoylsulfanylethyl)-dimethyl-azanium bromide Openeye Name: 2-acetylsulfanylethyl-(3,4-dihydroxy-4-oxo-3-phosphono-butyl)-dimethyl-ammonium bromide CAS Name: 2-(acetylthio)ethyl-(3,4-dihydroxy-4-oxo-3-phosphonobutyl)-dimethylammonium bromide IUPAC Name: 2-acetylsulfanylethyl-(3,4-dihydroxy-4-oxo-3-phosphonobutyl)-dimethylazanium bromide Traditional Name: 2-(acetylthio)ethyl-(3,4-dihydroxy-4-keto-3-phosphono-butyl)-dimethyl-ammonium bromide Formula: C10H21BrNO7PS MolecularWeight: 410.219001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20NO7PS.BrH/c1-8(12)20-7-6-11(2,3)5-4-10(15,9(13)14)19(16,17)18;/h15H,4-7H2,1-3H3,(H2-,13,14,16,17,18);1H