methanesulfonate; 2-[2-methoxy-3-methyl-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole

Systemtic Name: methanesulfonate; 2-[2-methoxy-3-methyl-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole Openeye Name: methanesulfonate; 2-[2-methoxy-3-methyl-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole CAS Name: methanesulfonate; 2-[2-methoxy-3-methyl-5-(trifluoromethyl)-1-pyridin-1-iumyl]-1H-benzimidazole IUPAC Name: methanesulfonate; 2-[2-methoxy-3-methyl-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole Traditional Name: 2-[2-methoxy-3-methyl-5-(trifluoromethyl)pyridin-1-ium-1-yl]-1H-benzimidazole mesylate Formula: C16H16F3N3O4S MolecularWeight: 403.37615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC(=C1)C(F)(F)F)C2=NC3=CC=CC=C3N2)OC.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=C([N+](=CC(=C1)C(F)(F)F)C2=NC3=CC=CC=C3N2)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C15H13F3N3O.CH4O3S/c1-9-7-10(15(16,17)18)8-21(13(9)22-2)14-19-11-5-3-4-6-12(11)20-14;1-5(2,3)4/h3-8H,1-2H3,(H,19,20);1H3,(H,2,3,4)/q+1;/p-1