1-ethenyl-3-methyl-imidazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-ethenyl-3-methyl-imidazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 4-methylbenzenesulfonate; 1-methyl-3-vinyl-imidazol-1-ium CAS Name: 1-ethenyl-3-methylimidazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 1-ethenyl-3-methylimidazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 1-methyl-3-vinyl-imidazol-1-ium tosylate Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CN(C=C1)C=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CN(C=C1)C=C

InChI

InChI=1S/C7H8O3S.C6H9N2/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-8-5-4-7(2)6-8/h2-5H,1H3,(H,8,9,10);3-6H,1H2,2H3/q;+1/p-1