1-[[4-ethoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methylsulfanyl]-2-methyl-propan-2-ol

Systemtic Name: 1-[[4-ethoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methylsulfanyl]-2-methyl-propan-2-ol Openeye Name: 1-[[4-ethoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methylsulfanyl]-2-methyl-propan-2-ol CAS Name: 1-[[4-ethoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridin-1-iumyl]methylthio]-2-methyl-2-propanol IUPAC Name: 1-[[4-ethoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methylsulfanyl]-2-methylpropan-2-ol Traditional Name: 1-[[4-ethoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methylthio]-2-methyl-propan-2-ol Formula: C21H25F3N3O2S+ MolecularWeight: 440.50231

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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)O)C

Isomeric SMILES

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

InChI

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