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

Systemtic Name: 2-[4-methoxy-2-[(2-methoxycyclohexyl)sulfanylmethyl]-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-[4-methoxy-2-[(2-methoxycyclohexyl)sulfanylmethyl]-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 2-[4-methoxy-2-[[(2-methoxycyclohexyl)thio]methyl]-3-methyl-1-pyridin-1-iumyl]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 2-[4-methoxy-2-[(2-methoxycyclohexyl)sulfanylmethyl]-3-methylpyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-[4-methoxy-2-[[(2-methoxycyclohexyl)thio]methyl]-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Formula: C23H27F3N3O2S+ MolecularWeight: 466.53959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1CSC2CCCCC2OC)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F)OC

Isomeric SMILES

CC1=C(C=C[N+](=C1CSC2CCCCC2OC)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F)OC

InChI

InChI=1S/C23H27F3N3O2S/c1-14-18(13-32-21-7-5-4-6-20(21)31-3)29(11-10-19(14)30-2)22-27-16-9-8-15(23(24,25)26)12-17(16)28-22/h8-12,20-21H,4-7,13H2,1-3H3,(H,27,28)/q+1