3,4,4-trimethyl-1-(4-methylphenyl)sulfonyl-1,5-dihydroimidazole-1,3-diium iodide

Systemtic Name: 3,4,4-trimethyl-1-(4-methylphenyl)sulfonyl-1,5-dihydroimidazole-1,3-diium iodide Openeye Name: 3,4,4-trimethyl-1-(p-tolylsulfonyl)-1,5-dihydroimidazole-1,3-diium iodide CAS Name: 3,4,4-trimethyl-1-(4-methylphenyl)sulfonyl-1,5-dihydroimidazole-1,3-diium iodide IUPAC Name: 3,4,4-trimethyl-1-(4-methylphenyl)sulfonyl-1,5-dihydroimidazole-1,3-diium iodide Traditional Name: 3,4,4-trimethyl-1-tosyl-2-imidazoline-1,3-diium iodide Formula: C13H20IN2O2S+ MolecularWeight: 395.27957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[NH+]2CC([N+](=C2)C)(C)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[NH+]2CC([N+](=C2)C)(C)C.[I-]

InChI

InChI=1S/C13H19N2O2S.HI/c1-11-5-7-12(8-6-11)18(16,17)15-9-13(2,3)14(4)10-15;/h5-8,10H,9H2,1-4H3;1H/q+1;