2-[4-methoxy-3-methyl-2-(2-methyl-2-propan-2-yloxy-propyl)pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride

Systemtic Name: 2-[4-methoxy-3-methyl-2-(2-methyl-2-propan-2-yloxy-propyl)pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride Openeye Name: 2-[2-(2-isopropoxy-2-methyl-propyl)-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride CAS Name: 2-[4-methoxy-3-methyl-2-(2-methyl-2-propan-2-yloxypropyl)-1-pyridin-1-iumyl]-6-(trifluoromethyl)-1H-benzimidazole chloride IUPAC Name: 2-[4-methoxy-3-methyl-2-(2-methyl-2-propan-2-yloxypropyl)pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride Traditional Name: 2-[2-(2-isopropoxy-2-methyl-propyl)-4-methoxy-3-methyl-pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole chloride Formula: C22H27ClF3N3O2 MolecularWeight: 457.91689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1CC(C)(C)OC(C)C)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)OC.[Cl-]

Isomeric SMILES

CC1=C(C=C[N+](=C1CC(C)(C)OC(C)C)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)OC.[Cl-]

InChI

InChI=1S/C22H27F3N3O2.ClH/c1-13(2)30-21(4,5)12-18-14(3)19(29-6)9-10-28(18)20-26-16-8-7-15(22(23,24)25)11-17(16)27-20;/h7-11,13H,12H2,1-6H3,(H,26,27);1H/q+1;/p-1