1-methyl-2-(pyridin-4-ylmethylsulfanyl)pyridin-1-ium chloride

Systemtic Name: 1-methyl-2-(pyridin-4-ylmethylsulfanyl)pyridin-1-ium chloride Openeye Name: 1-methyl-2-(4-pyridylmethylsulfanyl)pyridin-1-ium chloride CAS Name: 1-methyl-2-(pyridin-4-ylmethylthio)pyridin-1-ium chloride IUPAC Name: 1-methyl-2-(pyridin-4-ylmethylsulfanyl)pyridin-1-ium chloride Traditional Name: 1-methyl-2-(4-pyridylmethylthio)pyridin-1-ium chloride Formula: C12H13ClN2S MolecularWeight: 252.76302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCC2=CC=NC=C2.[Cl-]

Isomeric SMILES

C[N+]1=CC=CC=C1SCC2=CC=NC=C2.[Cl-]

InChI

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