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

Systemtic Name: 2-[4-ethoxy-2-[(2-ethoxy-2-methyl-propyl)sulfanylmethyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-[4-ethoxy-2-[(2-ethoxy-2-methyl-propyl)sulfanylmethyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 2-[4-ethoxy-2-[[(2-ethoxy-2-methylpropyl)thio]methyl]-1-pyridin-1-iumyl]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 2-[4-ethoxy-2-[(2-ethoxy-2-methylpropyl)sulfanylmethyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-[4-ethoxy-2-[[(2-ethoxy-2-methyl-propyl)thio]methyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Formula: C22H27F3N3O2S+ MolecularWeight: 454.52889

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=[N+](C=C1)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)CSCC(C)(C)OCC

Isomeric SMILES

CCOC1=CC(=[N+](C=C1)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)CSCC(C)(C)OCC

InChI

InChI=1S/C22H27F3N3O2S/c1-5-29-17-9-10-28(16(12-17)13-31-14-21(3,4)30-6-2)20-26-18-8-7-15(22(23,24)25)11-19(18)27-20/h7-12H,5-6,13-14H2,1-4H3,(H,26,27)/q+1