2-[(3-bromophenyl)methylsulfanyl]-1-methyl-pyridin-1-ium bromide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-1-methyl-pyridin-1-ium bromide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-1-methyl-pyridin-1-ium bromide CAS Name: 2-[(3-bromophenyl)methylthio]-1-methylpyridin-1-ium bromide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-1-methylpyridin-1-ium bromide Traditional Name: 2-[(3-bromobenzyl)thio]-1-methyl-pyridin-1-ium bromide Formula: C13H13Br2NS MolecularWeight: 375.12202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCC2=CC(=CC=C2)Br.[Br-]

Isomeric SMILES

C[N+]1=CC=CC=C1SCC2=CC(=CC=C2)Br.[Br-]

InChI

InChI=1S/C13H13BrNS.BrH/c1-15-8-3-2-7-13(15)16-10-11-5-4-6-12(14)9-11;/h2-9H,10H2,1H3;1H/q+1;/p-1