2,3-dimethylimidazol-3-ium-1-amine; 4-methylbenzenesulfonate

Systemtic Name: 2,3-dimethylimidazol-3-ium-1-amine; 4-methylbenzenesulfonate Openeye Name: 2,3-dimethylimidazol-3-ium-1-amine; 4-methylbenzenesulfonate CAS Name: 2,3-dimethyl-1-imidazol-3-iumamine; 4-methylbenzenesulfonate IUPAC Name: 2,3-dimethylimidazol-3-ium-1-amine; 4-methylbenzenesulfonate Traditional Name: (2,3-dimethylimidazol-3-ium-1-yl)amine tosylate Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C=CN1N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C=CN1N)C

InChI

InChI=1S/C7H8O3S.C5H10N3/c1-6-2-4-7(5-3-6)11(8,9)10;1-5-7(2)3-4-8(5)6/h2-5H,1H3,(H,8,9,10);3-4H,6H2,1-2H3/q;+1/p-1