1-methyl-4-(phenylmethylsulfanyl)pyridin-1-ium bromide

Systemtic Name: 1-methyl-4-(phenylmethylsulfanyl)pyridin-1-ium bromide Openeye Name: 4-benzylsulfanyl-1-methyl-pyridin-1-ium bromide CAS Name: 1-methyl-4-(phenylmethylthio)pyridin-1-ium bromide IUPAC Name: 4-benzylsulfanyl-1-methylpyridin-1-ium bromide Traditional Name: 4-(benzylthio)-1-methyl-pyridin-1-ium bromide Formula: C13H14BrNS MolecularWeight: 296.22596

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)SCC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)SCC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C13H14NS.BrH/c1-14-9-7-13(8-10-14)15-11-12-5-3-2-4-6-12;/h2-10H,11H2,1H3;1H/q+1;/p-1