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1-methyl-2-(phenylmethylsulfanyl)pyridin-1-ium-3-ol bromide

1-methyl-2-(phenylmethylsulfanyl)pyridin-1-ium-3-ol bromide

Systemtic Name:1-methyl-2-(phenylmethylsulfanyl)pyridin-1-ium-3-ol bromide
Openeye Name:2-benzylsulfanyl-1-methyl-pyridin-1-ium-3-ol bromide
CAS Name:1-methyl-2-(phenylmethylthio)-3-pyridin-1-iumol bromide
IUPAC Name:2-benzylsulfanyl-1-methylpyridin-1-ium-3-ol bromide
Traditional Name:2-(benzylthio)-1-methyl-pyridin-1-ium-3-ol bromide
Formula: C13H14BrNOS
MolecularWeight: 312.22536
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1SCC2=CC=CC=C2)O.[Br-]


Isomeric SMILES

C[N+]1=CC=CC(=C1SCC2=CC=CC=C2)O.[Br-]


InChI

InChI=1S/C13H13NOS.BrH/c1-14-9-5-8-12(15)13(14)16-10-11-6-3-2-4-7-11;/h2-9H,10H2,1H3;1H


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