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

Systemtic Name: 1-(3-azanyl-1,3-thiazol-3-ium-2-yl)ethanol; 2,4,6-trimethylbenzenesulfonate Openeye Name: 1-(3-aminothiazol-3-ium-2-yl)ethanol; 2,4,6-trimethylbenzenesulfonate CAS Name: 1-(3-amino-2-thiazol-3-iumyl)ethanol; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 1-(3-amino-1,3-thiazol-3-ium-2-yl)ethanol; 2,4,6-trimethylbenzenesulfonate Traditional Name: 1-(3-aminothiazol-3-ium-2-yl)ethanol; 2,4,6-trimethylbesylate Formula: C14H20N2O4S2 MolecularWeight: 344.4496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC(C1=[N+](C=CS1)N)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC(C1=[N+](C=CS1)N)O

InChI

InChI=1S/C9H12O3S.C5H9N2OS/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-4(8)5-7(6)2-3-9-5/h4-5H,1-3H3,(H,10,11,12);2-4,8H,6H2,1H3/q;+1/p-1