4-(3,4-dimethylpyridin-1-ium-1-yl)-2-oxidanylidene-3H-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-(3,4-dimethylpyridin-1-ium-1-yl)-2-oxidanylidene-3H-1,3-thiazole-5-carboxylic acid Openeye Name: 4-(3,4-dimethylpyridin-1-ium-1-yl)-2-oxo-3H-thiazole-5-carboxylic acid CAS Name: 4-(3,4-dimethyl-1-pyridin-1-iumyl)-2-oxo-3H-thiazole-5-carboxylic acid IUPAC Name: 4-(3,4-dimethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazole-5-carboxylic acid Traditional Name: 4-(3,4-dimethylpyridin-1-ium-1-yl)-2-keto-4-thiazoline-5-carboxylic acid Formula: C11H11N2O3S+ MolecularWeight: 251.28164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=[N+](C=C1)C2=C(SC(=O)N2)C(=O)O)C

Isomeric SMILES

CC1=C(C=[N+](C=C1)C2=C(SC(=O)N2)C(=O)O)C

InChI

InChI=1S/C11H10N2O3S/c1-6-3-4-13(5-7(6)2)9-8(10(14)15)17-11(16)12-9/h3-5H,1-2H3,(H-,12,14,15,16)/p+1