2-(1H-imidazol-5-ylmethylsulfanyl)-1-methyl-pyridin-1-ium chloride

Systemtic Name: 2-(1H-imidazol-5-ylmethylsulfanyl)-1-methyl-pyridin-1-ium chloride Openeye Name: 2-(1H-imidazol-5-ylmethylsulfanyl)-1-methyl-pyridin-1-ium chloride CAS Name: 2-(1H-imidazol-5-ylmethylthio)-1-methylpyridin-1-ium chloride IUPAC Name: 2-(1H-imidazol-5-ylmethylsulfanyl)-1-methylpyridin-1-ium chloride Traditional Name: 2-(1H-imidazol-5-ylmethylthio)-1-methyl-pyridin-1-ium chloride Formula: C10H12ClN3S MolecularWeight: 241.74038

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCC2=CN=CN2.[Cl-]

Isomeric SMILES

C[N+]1=CC=CC=C1SCC2=CN=CN2.[Cl-]

InChI

InChI=1S/C10H12N3S.ClH/c1-13-5-3-2-4-10(13)14-7-9-6-11-8-12-9;/h2-6,8H,7H2,1H3,(H,11,12);1H/q+1;/p-1