2-[2-methyl-3-(2-methylprop-1-enylsulfanyl)-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole chloride

Systemtic Name: 2-[2-methyl-3-(2-methylprop-1-enylsulfanyl)-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole chloride Openeye Name: 2-[2-methyl-3-(2-methylprop-1-enylsulfanyl)-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole chloride CAS Name: 2-[2-methyl-3-(2-methylprop-1-enylthio)-5-(trifluoromethyl)-1-pyridin-1-iumyl]-1H-benzimidazole chloride IUPAC Name: 2-[2-methyl-3-(2-methylprop-1-enylsulfanyl)-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole chloride Traditional Name: 2-[2-methyl-3-(2-methylprop-1-enylthio)-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole chloride Formula: C18H17ClF3N3S MolecularWeight: 399.86089

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=[N+]1C2=NC3=CC=CC=C3N2)C(F)(F)F)SC=C(C)C.[Cl-]

Isomeric SMILES

CC1=C(C=C(C=[N+]1C2=NC3=CC=CC=C3N2)C(F)(F)F)SC=C(C)C.[Cl-]

InChI

InChI=1S/C18H17F3N3S.ClH/c1-11(2)10-25-16-8-13(18(19,20)21)9-24(12(16)3)17-22-14-6-4-5-7-15(14)23-17;/h4-10H,1-3H3,(H,22,23);1H/q+1;/p-1