1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-4-ium-1-yl-1H-quinolin-1-ium-3-carboxylate

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-4-ium-1-yl-1H-quinolin-1-ium-3-carboxylate Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-yl-1H-quinolin-1-ium-3-carboxylate CAS Name: 1-ethyl-6-fluoro-4-oxo-7-(1-piperazin-4-iumyl)-1H-quinolin-1-ium-3-carboxylate IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-yl-1H-quinolin-1-ium-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-piperazin-4-ium-1-yl-1H-quinolin-1-ium-3-carboxylate Formula: C16H19FN3O3+ MolecularWeight: 320.338763

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH2+]CC3)F)C(=O)[O-]

Isomeric SMILES

CC[NH+]1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH2+]CC3)F)C(=O)[O-]

InChI

InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)/p+1