(3,5-dimethylphenyl)methanesulfonate; 5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine

Systemtic Name: (3,5-dimethylphenyl)methanesulfonate; 5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine Openeye Name: (3,5-dimethylphenyl)methanesulfonate; 4-methyl-5-vinyl-thiazol-3-ium-3-amine CAS Name: (3,5-dimethylphenyl)methanesulfonate; 5-ethenyl-4-methyl-3-thiazol-3-iumamine IUPAC Name: (3,5-dimethylphenyl)methanesulfonate; 5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine Traditional Name: (3,5-dimethylphenyl)methanesulfonate; (4-methyl-5-vinyl-thiazol-3-ium-3-yl)amine Formula: C15H20N2O3S2 MolecularWeight: 340.4609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.C6H9N2S/c1-7-3-8(2)5-9(4-7)6-13(10,11)12;1-3-6-5(2)8(7)4-9-6/h3-5H,6H2,1-2H3,(H,10,11,12);3-4H,1,7H2,2H3/q;+1/p-1