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

Systemtic Name: [4-(dodecylsulfanylcarbothioylsulfanylmethyl)phenyl]methyl-ethyl-dimethyl-azanium Openeye Name: [4-(dodecylsulfanylcarbothioylsulfanylmethyl)phenyl]methyl-ethyl-dimethyl-ammonium CAS Name: [4-[[[(dodecylthio)-sulfanylidenemethyl]thio]methyl]phenyl]methyl-ethyl-dimethylammonium IUPAC Name: [4-(dodecylsulfanylcarbothioylsulfanylmethyl)phenyl]methyl-ethyl-dimethylazanium Traditional Name: ethyl-[4-[[(laurylthio)carbothioylthio]methyl]benzyl]-dimethyl-ammonium Formula: C25H44NS3+ MolecularWeight: 454.81856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44NS3/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/q+1