2-[(4-bromophenyl)methylsulfanyl]-1-methyl-pyridin-1-ium bromide

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-1-methyl-pyridin-1-ium bromide Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-1-methyl-pyridin-1-ium bromide CAS Name: 2-[(4-bromophenyl)methylthio]-1-methylpyridin-1-ium bromide IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-1-methylpyridin-1-ium bromide Traditional Name: 2-[(4-bromobenzyl)thio]-1-methyl-pyridin-1-ium bromide Formula: C13H13Br2NS MolecularWeight: 375.12202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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