2-[[3,5-bis(chloranyl)phenyl]methylsulfanyl]-1-methyl-pyridin-1-ium chloride

Systemtic Name: 2-[[3,5-bis(chloranyl)phenyl]methylsulfanyl]-1-methyl-pyridin-1-ium chloride Openeye Name: 2-[(3,5-dichlorophenyl)methylsulfanyl]-1-methyl-pyridin-1-ium chloride CAS Name: 2-[(3,5-dichlorophenyl)methylthio]-1-methylpyridin-1-ium chloride IUPAC Name: 2-[(3,5-dichlorophenyl)methylsulfanyl]-1-methylpyridin-1-ium chloride Traditional Name: 2-[(3,5-dichlorobenzyl)thio]-1-methyl-pyridin-1-ium chloride Formula: C13H12Cl3NS MolecularWeight: 320.66508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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