2-[2,3-bis(azanyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol; (3,5-dimethylphenyl)methanesulfonate

Systemtic Name: 2-[2,3-bis(azanyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol; (3,5-dimethylphenyl)methanesulfonate Openeye Name: 2-(2,3-diamino-4-methyl-thiazol-3-ium-5-yl)ethanol; (3,5-dimethylphenyl)methanesulfonate CAS Name: 2-(2,3-diamino-4-methyl-5-thiazol-3-iumyl)ethanol; (3,5-dimethylphenyl)methanesulfonate IUPAC Name: 2-(2,3-diamino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol; (3,5-dimethylphenyl)methanesulfonate Traditional Name: 2-(2,3-diamino-4-methyl-thiazol-3-ium-5-yl)ethanol; (3,5-dimethylphenyl)methanesulfonate Formula: C15H23N3O4S2 MolecularWeight: 373.49082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.C6H11N3OS/c1-7-3-8(2)5-9(4-7)6-13(10,11)12;1-4-5(2-3-10)11-6(7)9(4)8/h3-5H,6H2,1-2H3,(H,10,11,12);7,10H,2-3,8H2,1H3