7-[4-[(3S)-1-cyclopropyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 7-[4-[(3S)-1-cyclopropyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-[4-[(3S)-1-cyclopropyl-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[4-[(3S)-1-cyclopropyl-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-[4-[(3S)-1-cyclopropyl-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[4-[(3S)-1-cyclopropyl-2,5-diketo-pyrrolidin-3-yl]piperazin-4-ium-1-yl]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylate Formula: C23H25FN4O5 MolecularWeight: 456.466803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C4CC(=O)N(C4=O)C5CC5)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)[C@H]4CC(=O)N(C4=O)C5CC5)F)C(=O)[O-]

InChI

InChI=1S/C23H25FN4O5/c1-2-25-12-15(23(32)33)21(30)14-9-16(24)18(10-17(14)25)26-5-7-27(8-6-26)19-11-20(29)28(22(19)31)13-3-4-13/h9-10,12-13,19H,2-8,11H2,1H3,(H,32,33)/t19-/m0/s1