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

Systemtic Name: 2-[(E)-C-(4-bromophenyl)-N-oxidanyl-carbonimidoyl]sulfanylethyl-trimethyl-azanium sulfate Openeye Name: 2-[(E)-C-(4-bromophenyl)-N-hydroxy-carbonimidoyl]sulfanylethyl-trimethyl-ammonium sulfate CAS Name: 2-[[(E)-(4-bromophenyl)-hydroxyiminomethyl]thio]ethyl-trimethylammonium sulfate IUPAC Name: 2-[(E)-C-(4-bromophenyl)-N-hydroxycarbonimidoyl]sulfanylethyl-trimethylazanium sulfate Traditional Name: 2-[[(E)-(4-bromophenyl)carbohydroximoyl]thio]ethyl-trimethyl-ammonium sulfate Formula: C24H36Br2N4O6S3 MolecularWeight: 732.56884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H17BrN2OS.H2O4S/c2*1-15(2,3)8-9-17-12(14-16)10-4-6-11(13)7-5-10;1-5(2,3)4/h2*4-7H,8-9H2,1-3H3;(H2,1,2,3,4)/b2*14-12+;