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

Systemtic Name: 2-[(Z)-C-(4-bromophenyl)carbonyl-N-oxidanyl-carbonimidoyl]sulfanylethyl-trimethyl-azanium Openeye Name: 2-[(Z)-C-(4-bromobenzoyl)-N-hydroxy-carbonimidoyl]sulfanylethyl-trimethyl-ammonium CAS Name: 2-[[(1Z)-2-(4-bromophenyl)-1-hydroxyimino-2-oxoethyl]thio]ethyl-trimethylammonium IUPAC Name: 2-[(Z)-C-(4-bromobenzoyl)-N-hydroxycarbonimidoyl]sulfanylethyl-trimethylazanium Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-acetohydroximoyl]thio]ethyl-trimethyl-ammonium Formula: C13H18BrN2O2S+ MolecularWeight: 346.26322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O2S/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/p+1