2-[4-methoxy-3-methyl-2-(2-methyl-2-propan-2-yloxy-propyl)-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole chloride

Systemtic Name: 2-[4-methoxy-3-methyl-2-(2-methyl-2-propan-2-yloxy-propyl)-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole chloride Openeye Name: 2-[2-(2-isopropoxy-2-methyl-propyl)-4-methoxy-3-methyl-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole chloride CAS Name: 2-[4-methoxy-3-methyl-2-(2-methyl-2-propan-2-yloxypropyl)-5-(trifluoromethyl)-1-pyridin-1-iumyl]-1H-benzimidazole chloride IUPAC Name: 2-[4-methoxy-3-methyl-2-(2-methyl-2-propan-2-yloxypropyl)-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole chloride Traditional Name: 2-[2-(2-isopropoxy-2-methyl-propyl)-4-methoxy-3-methyl-5-(trifluoromethyl)pyridin-1-ium-1-yl]-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=CC=CC=C3N2)C(F)(F)F)OC.[Cl-]

Isomeric SMILES

CC1=C(C(=C[N+](=C1CC(C)(C)OC(C)C)C2=NC3=CC=CC=C3N2)C(F)(F)F)OC.[Cl-]

InChI

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