(3,5-dimethylphenyl)methanesulfonate; 4,5-dimethyl-1,3-thiazol-3-ium-2,3-diamine

Systemtic Name: (3,5-dimethylphenyl)methanesulfonate; 4,5-dimethyl-1,3-thiazol-3-ium-2,3-diamine Openeye Name: (3,5-dimethylphenyl)methanesulfonate; 4,5-dimethylthiazol-3-ium-2,3-diamine CAS Name: (3,5-dimethylphenyl)methanesulfonate; 4,5-dimethylthiazol-3-ium-2,3-diamine IUPAC Name: (3,5-dimethylphenyl)methanesulfonate; 4,5-dimethyl-1,3-thiazol-3-ium-2,3-diamine Traditional Name: (2-amino-4,5-dimethyl-thiazol-3-ium-3-yl)amine; (3,5-dimethylphenyl)methanesulfonate Formula: C14H21N3O3S2 MolecularWeight: 343.46484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.C5H9N3S/c1-7-3-8(2)5-9(4-7)6-13(10,11)12;1-3-4(2)9-5(6)8(3)7/h3-5H,6H2,1-2H3,(H,10,11,12);6H,7H2,1-2H3