1-(3-azanyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)ethanol; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 1-(3-azanyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)ethanol; 2,4,6-trimethylbenzenesulfonate Openeye Name: 1-(3-amino-4,5-dimethyl-thiazol-3-ium-2-yl)ethanol; 2,4,6-trimethylbenzenesulfonate CAS Name: 1-(3-amino-4,5-dimethyl-2-thiazol-3-iumyl)ethanol; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 1-(3-amino-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)ethanol; 2,4,6-trimethylbenzenesulfonate Traditional Name: 1-(3-amino-4,5-dimethyl-thiazol-3-ium-2-yl)ethanol; 2,4,6-trimethylbesylate Formula: C16H24N2O4S2 MolecularWeight: 372.50276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.C7H13N2OS/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-4-6(3)11-7(5(2)10)9(4)8/h4-5H,1-3H3,(H,10,11,12);5,10H,8H2,1-3H3/q;+1/p-1