3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-carboxylic acid

Systemtic Name: 3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-carboxylic acid Openeye Name: 3-ethyl-4,5-dimethyl-thiazol-3-ium-2-carboxylic acid CAS Name: 3-ethyl-4,5-dimethyl-2-thiazol-3-iumcarboxylic acid IUPAC Name: 3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-carboxylic acid Traditional Name: 3-ethyl-4,5-dimethyl-thiazol-3-ium-2-carboxylic acid Formula: C8H12NO2S+ MolecularWeight: 186.25138

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC(=C1C)C)C(=O)O

Isomeric SMILES

CC[N+]1=C(SC(=C1C)C)C(=O)O

InChI

InChI=1S/C8H11NO2S/c1-4-9-5(2)6(3)12-7(9)8(10)11/h4H2,1-3H3/p+1