1-ethyl-6-fluoranyl-4-oxidanylidene-7-(2-piperidin-1-ium-1-yl-1,3-thiazol-4-yl)-1H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(2-piperidin-1-ium-1-yl-1,3-thiazol-4-yl)-1H-quinolin-1-ium-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-(2-piperidin-1-ium-1-ylthiazol-4-yl)-1H-quinolin-1-ium-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[2-(1-piperidin-1-iumyl)-4-thiazolyl]-1H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-(2-piperidin-1-ium-1-yl-1,3-thiazol-4-yl)-1H-quinolin-1-ium-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(2-piperidin-1-ium-1-ylthiazol-4-yl)-1H-quinolin-1-ium-3-carboxylic acid Formula: C20H22FN3O3S+2 MolecularWeight: 403.470383

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C=C(C(=O)C2=C1C=C(C(=C2)F)C3=CSC(=N3)[NH+]4CCCCC4)C(=O)O

Isomeric SMILES

CC[NH+]1C=C(C(=O)C2=C1C=C(C(=C2)F)C3=CSC(=N3)[NH+]4CCCCC4)C(=O)O

InChI

InChI=1S/C20H20FN3O3S/c1-2-23-10-14(19(26)27)18(25)13-8-15(21)12(9-17(13)23)16-11-28-20(22-16)24-6-4-3-5-7-24/h8-11H,2-7H2,1H3,(H,26,27)/p+2