1-[[4-methoxy-3,5-dimethyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methylsulfanyl]-2-methyl-propan-2-ol

Systemtic Name: 1-[[4-methoxy-3,5-dimethyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methylsulfanyl]-2-methyl-propan-2-ol Openeye Name: 1-[[4-methoxy-3,5-dimethyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methylsulfanyl]-2-methyl-propan-2-ol CAS Name: 1-[[4-methoxy-3,5-dimethyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridin-1-iumyl]methylthio]-2-methyl-2-propanol IUPAC Name: 1-[[4-methoxy-3,5-dimethyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methylsulfanyl]-2-methylpropan-2-ol Traditional Name: 1-[[4-methoxy-3,5-dimethyl-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:

CC1=C[N+](=C(C(=C1OC)C)CSCC(C)(C)O)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=C[N+](=C(C(=C1OC)C)CSCC(C)(C)O)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F

InChI

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