1-methyl-3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridin-1-ium iodide

Systemtic Name: 1-methyl-3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridin-1-ium iodide Openeye Name: 1-methyl-3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridin-1-ium iodide CAS Name: 1-methyl-3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)-2-imidazolyl]pyridin-1-ium iodide IUPAC Name: 1-methyl-3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridin-1-ium iodide Traditional Name: 3-[1-(4-mesylphenyl)-4-(trifluoromethyl)imidazol-2-yl]-1-methyl-pyridin-1-ium iodide Formula: C17H15F3IN3O2S MolecularWeight: 509.28458

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NC(=CN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NC(=CN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F.[I-]

InChI

InChI=1S/C17H15F3N3O2S.HI/c1-22-9-3-4-12(10-22)16-21-15(17(18,19)20)11-23(16)13-5-7-14(8-6-13)26(2,24)25;/h3-11H,1-2H3;1H/q+1;/p-1