1-[3,4-bis(oxidanyl)phenyl]-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-(4,5-dimethylthiazol-3-ium-3-yl)ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-(4,5-dimethyl-3-thiazol-3-iumyl)ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-(4,5-dimethylthiazol-3-ium-3-yl)ethanone Formula: C13H14NO3S+ MolecularWeight: 264.32016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC(=C(C=C2)O)O)C

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC(=C(C=C2)O)O)C

InChI

InChI=1S/C13H13NO3S/c1-8-9(2)18-7-14(8)6-13(17)10-3-4-11(15)12(16)5-10/h3-5,7H,6H2,1-2H3,(H-,15,16,17)/p+1