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

Systemtic Name: 2-[(E)-C-(4-bromophenyl)-N-oxidanyl-carbonimidoyl]sulfanylethyl-trimethyl-azanium Openeye Name: 2-[(E)-C-(4-bromophenyl)-N-hydroxy-carbonimidoyl]sulfanylethyl-trimethyl-ammonium CAS Name: 2-[[(E)-(4-bromophenyl)-hydroxyiminomethyl]thio]ethyl-trimethylammonium IUPAC Name: 2-[(E)-C-(4-bromophenyl)-N-hydroxycarbonimidoyl]sulfanylethyl-trimethylazanium Traditional Name: 2-[[(E)-(4-bromophenyl)carbohydroximoyl]thio]ethyl-trimethyl-ammonium Formula: C12H18BrN2OS+ MolecularWeight: 318.25312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2OS/c1-15(2,3)8-9-17-12(14-16)10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3/p+1/b14-12+