2-[(3,4-dichlorophenyl)methylsulfanyl]-1-methyl-pyridin-1-ium chloride

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1-methyl-pyridin-1-ium chloride Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1-methyl-pyridin-1-ium chloride CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-1-methylpyridin-1-ium chloride IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1-methylpyridin-1-ium chloride Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-1-methyl-pyridin-1-ium chloride Formula: C13H12Cl3NS MolecularWeight: 320.66508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12Cl2NS.ClH/c1-16-7-3-2-4-13(16)17-9-10-5-6-11(14)12(15)8-10;/h2-8H,9H2,1H3;1H/q+1;/p-1