2,3-dimethylimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 2,3-dimethylimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 2,3-dimethylimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 2,3-dimethyl-1-imidazol-3-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 2,3-dimethylimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (2,3-dimethylimidazol-3-ium-1-yl)amine; 2,4,6-trimethylbesylate Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.C5H10N3/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-5-7(2)3-4-8(5)6/h4-5H,1-3H3,(H,10,11,12);3-4H,6H2,1-2H3/q;+1/p-1