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

Systemtic Name: 2-[4-methoxy-2-[(2-methoxy-2-methyl-propyl)sulfanylmethyl]-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-[4-methoxy-2-[(2-methoxy-2-methyl-propyl)sulfanylmethyl]-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 2-[4-methoxy-2-[[(2-methoxy-2-methylpropyl)thio]methyl]-3-methyl-1-pyridin-1-iumyl]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 2-[4-methoxy-2-[(2-methoxy-2-methylpropyl)sulfanylmethyl]-3-methylpyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-[4-methoxy-2-[[(2-methoxy-2-methyl-propyl)thio]methyl]-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Formula: C21H25F3N3O2S+ MolecularWeight: 440.50231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25F3N3O2S/c1-13-17(11-30-12-20(2,3)29-5)27(9-8-18(13)28-4)19-25-15-7-6-14(21(22,23)24)10-16(15)26-19/h6-10H,11-12H2,1-5H3,(H,25,26)/q+1