4-methylsulfanyl-1-(phenylmethyl)pyridin-1-ium bromide

Systemtic Name: 4-methylsulfanyl-1-(phenylmethyl)pyridin-1-ium bromide Openeye Name: 1-benzyl-4-methylsulfanyl-pyridin-1-ium bromide CAS Name: 4-(methylthio)-1-(phenylmethyl)pyridin-1-ium bromide IUPAC Name: 1-benzyl-4-methylsulfanylpyridin-1-ium bromide Traditional Name: 1-benzyl-4-(methylthio)pyridin-1-ium bromide Formula: C13H14BrNS MolecularWeight: 296.22596

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=[N+](C=C1)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CSC1=CC=[N+](C=C1)CC2=CC=CC=C2.[Br-]

InChI

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