7-(2,3-dimethyl-1,3-thiazol-3-ium-4-yl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2,3-dimethyl-1,3-thiazol-3-ium-4-yl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2,3-dimethylthiazol-3-ium-4-yl)-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2,3-dimethyl-4-thiazol-3-iumyl)-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2,3-dimethyl-1,3-thiazol-3-ium-4-yl)-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(2,3-dimethylthiazol-3-ium-4-yl)-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C17H17N2O3S+ MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=[N+]3C)C)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=[N+]3C)C)C(=O)O

InChI

InChI=1S/C17H16N2O3S/c1-4-19-8-13(17(21)22)16(20)12-6-5-11(7-14(12)19)15-9-23-10(2)18(15)3/h5-9H,4H2,1-3H3/p+1