3-methylimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonic acid

Systemtic Name: 3-methylimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonic acid Openeye Name: 3-methylimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonic acid CAS Name: 3-methyl-1-imidazol-3-iumamine; 2,4,6-trimethylbenzenesulfonic acid IUPAC Name: 3-methylimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonic acid Traditional Name: (3-methylimidazol-3-ium-1-yl)amine; 2,4,6-trimethylbesylic acid Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.C4H8N3/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-6-2-3-7(5)4-6/h4-5H,1-3H3,(H,10,11,12);2-4H,5H2,1H3/q;+1