2-[(5-dodecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl-dimethyl-octyl-azanium bromide

Systemtic Name: 2-[(5-dodecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl-dimethyl-octyl-azanium bromide Openeye Name: 2-[(5-dodecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl-dimethyl-octyl-ammonium bromide CAS Name: 2-[[5-(dodecylthio)-1,3,4-thiadiazol-2-yl]thio]ethyl-dimethyl-octylammonium bromide IUPAC Name: 2-[(5-dodecylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl-dimethyl-octylazanium bromide Traditional Name: 2-[[5-(laurylthio)-1,3,4-thiadiazol-2-yl]thio]ethyl-dimethyl-octyl-ammonium bromide Formula: C26H52BrN3S3 MolecularWeight: 582.81018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NN=C(S1)SCC[N+](C)(C)CCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCSC1=NN=C(S1)SCC[N+](C)(C)CCCCCCCC.[Br-]

InChI

InChI=1S/C26H52N3S3.BrH/c1-5-7-9-11-13-14-15-16-18-20-23-30-25-27-28-26(32-25)31-24-22-29(3,4)21-19-17-12-10-8-6-2;/h5-24H2,1-4H3;1H/q+1;/p-1