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

Systemtic Name: 1-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methylsulfanyl]-2-methyl-propan-2-ol Openeye Name: 1-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methylsulfanyl]-2-methyl-propan-2-ol CAS Name: 1-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridin-1-iumyl]methylthio]-2-methyl-2-propanol IUPAC Name: 1-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methylsulfanyl]-2-methylpropan-2-ol Traditional Name: 1-[[4-methoxy-3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-1-ium-2-yl]methylthio]-2-methyl-propan-2-ol Formula: C20H23F3N3O2S+ MolecularWeight: 426.47573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23F3N3O2S/c1-12-16(10-29-11-19(2,3)27)26(8-7-17(12)28-4)18-24-14-6-5-13(20(21,22)23)9-15(14)25-18/h5-9,27H,10-11H2,1-4H3,(H,24,25)/q+1