4-[(3-chlorophenyl)methylsulfanyl]-1-methyl-pyridin-1-ium chloride

Systemtic Name: 4-[(3-chlorophenyl)methylsulfanyl]-1-methyl-pyridin-1-ium chloride Openeye Name: 4-[(3-chlorophenyl)methylsulfanyl]-1-methyl-pyridin-1-ium chloride CAS Name: 4-[(3-chlorophenyl)methylthio]-1-methylpyridin-1-ium chloride IUPAC Name: 4-[(3-chlorophenyl)methylsulfanyl]-1-methylpyridin-1-ium chloride Traditional Name: 4-[(3-chlorobenzyl)thio]-1-methyl-pyridin-1-ium chloride Formula: C13H13Cl2NS MolecularWeight: 286.22002

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)SCC2=CC(=CC=C2)Cl.[Cl-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)SCC2=CC(=CC=C2)Cl.[Cl-]

InChI

InChI=1S/C13H13ClNS.ClH/c1-15-7-5-13(6-8-15)16-10-11-3-2-4-12(14)9-11;/h2-9H,10H2,1H3;1H/q+1;/p-1