1-methyl-4-(2-phenylsulfanylethyl)pyridin-1-ium bromide

Systemtic Name: 1-methyl-4-(2-phenylsulfanylethyl)pyridin-1-ium bromide Openeye Name: 1-methyl-4-(2-phenylsulfanylethyl)pyridin-1-ium bromide CAS Name: 1-methyl-4-[2-(phenylthio)ethyl]pyridin-1-ium bromide IUPAC Name: 1-methyl-4-(2-phenylsulfanylethyl)pyridin-1-ium bromide Traditional Name: 1-methyl-4-[2-(phenylthio)ethyl]pyridin-1-ium bromide Formula: C14H16BrNS MolecularWeight: 310.25254

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CCSC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)CCSC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C14H16NS.BrH/c1-15-10-7-13(8-11-15)9-12-16-14-5-3-2-4-6-14;/h2-8,10-11H,9,12H2,1H3;1H/q+1;/p-1