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

Systemtic Name: (3,5-dimethylphenyl)methanesulfonate; 1,3-thiazol-3-ium-3-amine Openeye Name: (3,5-dimethylphenyl)methanesulfonate; thiazol-3-ium-3-amine CAS Name: (3,5-dimethylphenyl)methanesulfonate; 3-thiazol-3-iumamine IUPAC Name: (3,5-dimethylphenyl)methanesulfonate; 1,3-thiazol-3-ium-3-amine Traditional Name: (3,5-dimethylphenyl)methanesulfonate; thiazol-3-ium-3-ylamine Formula: C12H16N2O3S2 MolecularWeight: 300.39704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.C3H5N2S/c1-7-3-8(2)5-9(4-7)6-13(10,11)12;4-5-1-2-6-3-5/h3-5H,6H2,1-2H3,(H,10,11,12);1-3H,4H2/q;+1/p-1