1-methyl-6-(phenylmethylsulfanyl)-2,3,4,5-tetrahydropyridin-1-ium bromide

Systemtic Name: 1-methyl-6-(phenylmethylsulfanyl)-2,3,4,5-tetrahydropyridin-1-ium bromide Openeye Name: 6-benzylsulfanyl-1-methyl-2,3,4,5-tetrahydropyridin-1-ium bromide CAS Name: 1-methyl-6-(phenylmethylthio)-2,3,4,5-tetrahydropyridin-1-ium bromide IUPAC Name: 6-benzylsulfanyl-1-methyl-2,3,4,5-tetrahydropyridin-1-ium bromide Traditional Name: 6-(benzylthio)-1-methyl-2,3,4,5-tetrahydropyridin-1-ium bromide Formula: C13H18BrNS MolecularWeight: 300.25772

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(CCCC1)SCC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+]1=C(CCCC1)SCC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C13H18NS.BrH/c1-14-10-6-5-9-13(14)15-11-12-7-3-2-4-8-12;/h2-4,7-8H,5-6,9-11H2,1H3;1H/q+1;/p-1