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

Systemtic Name: 2-(3-azanyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol; 2,4,6-trimethylbenzenesulfonate Openeye Name: 2-(3-amino-4-methyl-thiazol-3-ium-5-yl)ethanol; 2,4,6-trimethylbenzenesulfonate CAS Name: 2-(3-amino-4-methyl-5-thiazol-3-iumyl)ethanol; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 2-(3-amino-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol; 2,4,6-trimethylbenzenesulfonate Traditional Name: 2-(3-amino-4-methyl-thiazol-3-ium-5-yl)ethanol; 2,4,6-trimethylbesylate Formula: C15H22N2O4S2 MolecularWeight: 358.47618

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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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.C6H11N2OS/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-5-6(2-3-9)10-4-8(5)7/h4-5H,1-3H3,(H,10,11,12);4,9H,2-3,7H2,1H3/q;+1/p-1