2-[(Z)-C-(4-bromophenyl)carbonyl-N-oxidanyl-carbonimidoyl]sulfanylethyl-trimethyl-azanium iodide

Systemtic Name: 2-[(Z)-C-(4-bromophenyl)carbonyl-N-oxidanyl-carbonimidoyl]sulfanylethyl-trimethyl-azanium iodide Openeye Name: 2-[(Z)-C-(4-bromobenzoyl)-N-hydroxy-carbonimidoyl]sulfanylethyl-trimethyl-ammonium iodide CAS Name: 2-[[(1Z)-2-(4-bromophenyl)-1-hydroxyimino-2-oxoethyl]thio]ethyl-trimethylammonium iodide IUPAC Name: 2-[(Z)-C-(4-bromobenzoyl)-N-hydroxycarbonimidoyl]sulfanylethyl-trimethylazanium iodide Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-acetohydroximoyl]thio]ethyl-trimethyl-ammonium iodide Formula: C13H18BrIN2O2S MolecularWeight: 473.16769

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCSC(=NO)C(=O)C1=CC=C(C=C1)Br.[I-]

Isomeric SMILES

C[N+](C)(C)CCS/C(=N\O)/C(=O)C1=CC=C(C=C1)Br.[I-]

InChI

InChI=1S/C13H17BrN2O2S.HI/c1-16(2,3)8-9-19-13(15-18)12(17)10-4-6-11(14)7-5-10;/h4-7H,8-9H2,1-3H3;1H