(3,5-dimethylphenyl)methanesulfonate; 3-methylimidazol-3-ium-1-amine

Systemtic Name: (3,5-dimethylphenyl)methanesulfonate; 3-methylimidazol-3-ium-1-amine Openeye Name: (3,5-dimethylphenyl)methanesulfonate; 3-methylimidazol-3-ium-1-amine CAS Name: (3,5-dimethylphenyl)methanesulfonate; 3-methyl-1-imidazol-3-iumamine IUPAC Name: (3,5-dimethylphenyl)methanesulfonate; 3-methylimidazol-3-ium-1-amine Traditional Name: (3,5-dimethylphenyl)methanesulfonate; (3-methylimidazol-3-ium-1-yl)amine Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.C4H8N3/c1-7-3-8(2)5-9(4-7)6-13(10,11)12;1-6-2-3-7(5)4-6/h3-5H,6H2,1-2H3,(H,10,11,12);2-4H,5H2,1H3/q;+1/p-1