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

Systemtic Name: 1-methyl-2-[(4-methylphenyl)methylsulfanyl]pyridin-1-ium bromide Openeye Name: 1-methyl-2-(p-tolylmethylsulfanyl)pyridin-1-ium bromide CAS Name: 1-methyl-2-[(4-methylphenyl)methylthio]pyridin-1-ium bromide IUPAC Name: 1-methyl-2-[(4-methylphenyl)methylsulfanyl]pyridin-1-ium bromide Traditional Name: 1-methyl-2-[(4-methylbenzyl)thio]pyridin-1-ium bromide Formula: C14H16BrNS MolecularWeight: 310.25254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=CC=CC=[N+]2C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=CC=CC=[N+]2C.[Br-]

InChI

InChI=1S/C14H16NS.BrH/c1-12-6-8-13(9-7-12)11-16-14-5-3-4-10-15(14)2;/h3-10H,11H2,1-2H3;1H/q+1;/p-1