433337-24-7 Purity
≥98%
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Specification
The molecular formula is C18H20N2O3S.
Some synonyms include 52461-83-3, 1-benzyl-3-methyl-1H-imidazol-3-ium 4-methylbenzenesulfonate, and CCA46183.
The molecular weight is 344.4 g/mol.
The component compounds are p-Toluenesulfonic acid (CID 6101) and 3-Benzyl-1-methyl-1H-imidazol-3-ium (CID 10560336).
It was created on November 5, 2015.
It was last modified on December 30, 2023.
The IUPAC name is 1-benzyl-3-methylimidazol-3-ium;4-methylbenzenesulfonate.
The InChI is InChI=1S/C11H13N2.C7H8O3S/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-8,10H,9H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1.
The InChIKey is UDTMKPOKOKZLFT-UHFFFAOYSA-M.
The canonical SMILES is CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CN(C=C1)CC2=CC=CC=C2.