1H-imidazol-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 1H-imidazol-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 1H-imidazol-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 1H-imidazol-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 1H-imidazol-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: 1H-imidazol-3-ium-3-ylamine; 2,4,6-trimethylbesylate Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=C[N+](=CN1)N

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=C[N+](=CN1)N

InChI

InChI=1S/C9H12O3S.C3H5N3/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;4-6-2-1-5-3-6/h4-5H,1-3H3,(H,10,11,12);1-3H,4H2