2-[2-[[(2-chlorophenyl)disulfanyl]methyl]-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride

Systemtic Name: 2-[2-[[(2-chlorophenyl)disulfanyl]methyl]-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride Openeye Name: 2-[2-[[(2-chlorophenyl)disulfanyl]methyl]-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride CAS Name: 2-[2-[[(2-chlorophenyl)disulfanyl]methyl]-4-methoxy-3-methyl-1-pyridin-1-iumyl]-6-(trifluoromethyl)-1H-benzimidazole chloride IUPAC Name: 2-[2-[[(2-chlorophenyl)disulfanyl]methyl]-4-methoxy-3-methylpyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride Traditional Name: 2-[2-[[(2-chlorophenyl)disulfanyl]methyl]-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride Formula: C22H18Cl2F3N3OS2 MolecularWeight: 532.42903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1CSSC2=CC=CC=C2Cl)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F)OC.[Cl-]

Isomeric SMILES

CC1=C(C=C[N+](=C1CSSC2=CC=CC=C2Cl)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F)OC.[Cl-]

InChI

InChI=1S/C22H18ClF3N3OS2.ClH/c1-13-18(12-31-32-20-6-4-3-5-15(20)23)29(10-9-19(13)30-2)21-27-16-8-7-14(22(24,25)26)11-17(16)28-21;/h3-11H,12H2,1-2H3,(H,27,28);1H/q+1;/p-1