1,5,5-trimethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-1-ium iodide

Systemtic Name: 1,5,5-trimethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-1-ium iodide Openeye Name: 1,5,5-trimethyl-3-(p-tolylsulfonyl)-4H-imidazol-1-ium iodide CAS Name: 1,5,5-trimethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-1-ium iodide IUPAC Name: 1,5,5-trimethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-1-ium iodide Traditional Name: 3,4,4-trimethyl-1-tosyl-2-imidazolin-3-ium iodide Formula: C13H19IN2O2S MolecularWeight: 394.27163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC([N+](=C2)C)(C)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC([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;/p-1