2-[2-[(2-chloranyl-2-methyl-propyl)sulfanylmethyl]-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole

Systemtic Name: 2-[2-[(2-chloranyl-2-methyl-propyl)sulfanylmethyl]-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-[2-[(2-chloro-2-methyl-propyl)sulfanylmethyl]-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 2-[2-[[(2-chloro-2-methylpropyl)thio]methyl]-4-methoxy-3-methyl-1-pyridin-1-iumyl]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 2-[2-[(2-chloro-2-methylpropyl)sulfanylmethyl]-4-methoxy-3-methylpyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-[2-[[(2-chloro-2-methyl-propyl)thio]methyl]-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Formula: C20H22ClF3N3OS+ MolecularWeight: 444.92139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1CSCC(C)(C)Cl)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

CC1=C(C=C[N+](=C1CSCC(C)(C)Cl)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)OC

InChI

InChI=1S/C20H22ClF3N3OS/c1-12-16(10-29-11-19(2,3)21)27(8-7-17(12)28-4)18-25-14-6-5-13(20(22,23)24)9-15(14)26-18/h5-9H,10-11H2,1-4H3,(H,25,26)/q+1