[4-(dodecylsulfanylcarbothioylsulfanylmethyl)phenyl]methyl-ethyl-dimethyl-azanium bromide

Systemtic Name: [4-(dodecylsulfanylcarbothioylsulfanylmethyl)phenyl]methyl-ethyl-dimethyl-azanium bromide Openeye Name: [4-(dodecylsulfanylcarbothioylsulfanylmethyl)phenyl]methyl-ethyl-dimethyl-ammonium bromide CAS Name: [4-[[[(dodecylthio)-sulfanylidenemethyl]thio]methyl]phenyl]methyl-ethyl-dimethylammonium bromide IUPAC Name: [4-(dodecylsulfanylcarbothioylsulfanylmethyl)phenyl]methyl-ethyl-dimethylazanium bromide Traditional Name: ethyl-[4-[[(laurylthio)carbothioylthio]methyl]benzyl]-dimethyl-ammonium bromide Formula: C25H44BrNS3 MolecularWeight: 534.72256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(=S)SCC1=CC=C(C=C1)C[N+](C)(C)CC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCSC(=S)SCC1=CC=C(C=C1)C[N+](C)(C)CC.[Br-]

InChI

InChI=1S/C25H44NS3.BrH/c1-5-7-8-9-10-11-12-13-14-15-20-28-25(27)29-22-24-18-16-23(17-19-24)21-26(3,4)6-2;/h16-19H,5-15,20-22H2,1-4H3;1H/q+1;/p-1