1-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridin-1-ium

Systemtic Name: 1-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridin-1-ium Openeye Name: 1-methyl-2-(3-pyridylmethylsulfanyl)pyridin-1-ium CAS Name: 1-methyl-2-(3-pyridinylmethylthio)pyridin-1-ium IUPAC Name: 1-methyl-2-(pyridin-3-ylmethylsulfanyl)pyridin-1-ium Traditional Name: 1-methyl-2-(3-pyridylmethylthio)pyridin-1-ium Formula: C12H13N2S+ MolecularWeight: 217.31002

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCC2=CN=CC=C2

Isomeric SMILES

C[N+]1=CC=CC=C1SCC2=CN=CC=C2

InChI

InChI=1S/C12H13N2S/c1-14-8-3-2-6-12(14)15-10-11-5-4-7-13-9-11/h2-9H,10H2,1H3/q+1