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

Systemtic Name: 2-[2-[(2-chloranyl-2-methyl-propyl)sulfanylmethyl]-4-ethoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-[2-[(2-chloro-2-methyl-propyl)sulfanylmethyl]-4-ethoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 2-[2-[[(2-chloro-2-methylpropyl)thio]methyl]-4-ethoxy-3-methyl-1-pyridin-1-iumyl]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 2-[2-[(2-chloro-2-methylpropyl)sulfanylmethyl]-4-ethoxy-3-methylpyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-[2-[[(2-chloro-2-methyl-propyl)thio]methyl]-4-ethoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole Formula: C21H24ClF3N3OS+ MolecularWeight: 458.94797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClF3N3OS/c1-5-29-18-8-9-28(17(13(18)2)11-30-12-20(3,4)22)19-26-15-7-6-14(21(23,24)25)10-16(15)27-19/h6-10H,5,11-12H2,1-4H3,(H,26,27)/q+1