[4-(3-carboxy-1-ethyl-6-fluoranyl-4-oxidanylidene-1H-quinolin-1-ium-7-yl)-1,3-thiazol-2-yl]azanium

Systemtic Name: [4-(3-carboxy-1-ethyl-6-fluoranyl-4-oxidanylidene-1H-quinolin-1-ium-7-yl)-1,3-thiazol-2-yl]azanium Openeye Name: [4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1H-quinolin-1-ium-7-yl)thiazol-2-yl]ammonium CAS Name: [4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1H-quinolin-1-ium-7-yl)-2-thiazolyl]ammonium IUPAC Name: [4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1H-quinolin-1-ium-7-yl)-1,3-thiazol-2-yl]azanium Traditional Name: [4-(3-carboxy-1-ethyl-6-fluoro-4-keto-1H-quinolin-1-ium-7-yl)thiazol-2-yl]ammonium Formula: C15H14FN3O3S+2 MolecularWeight: 335.353363

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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)[NH3+])C(=O)O

Isomeric SMILES

CC[NH+]1C=C(C(=O)C2=C1C=C(C(=C2)F)C3=CSC(=N3)[NH3+])C(=O)O

InChI

InChI=1S/C15H12FN3O3S/c1-2-19-5-9(14(21)22)13(20)8-3-10(16)7(4-12(8)19)11-6-23-15(17)18-11/h3-6H,2H2,1H3,(H2,17,18)(H,21,22)/p+2