1-methyl-2-(1-phenylethylsulfanyl)pyridin-1-ium bromide

Systemtic Name: 1-methyl-2-(1-phenylethylsulfanyl)pyridin-1-ium bromide Openeye Name: 1-methyl-2-(1-phenylethylsulfanyl)pyridin-1-ium bromide CAS Name: 1-methyl-2-(1-phenylethylthio)pyridin-1-ium bromide IUPAC Name: 1-methyl-2-(1-phenylethylsulfanyl)pyridin-1-ium bromide Traditional Name: 1-methyl-2-(1-phenylethylthio)pyridin-1-ium bromide Formula: C14H16BrNS MolecularWeight: 310.25254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=CC=CC=[N+]2C.[Br-]

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=CC=CC=[N+]2C.[Br-]

InChI

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