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

Systemtic Name: 1-ethyl-7-[4-[(3S)-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-ethyl-7-[4-[(3S)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-7-[4-[(3S)-1-ethyl-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumyl]-6-fluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-ethyl-7-[4-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-7-[4-[(3S)-1-ethyl-2,5-diketo-pyrrolidin-3-yl]piperazin-4-ium-1-yl]-6-fluoro-4-keto-quinoline-3-carboxylate Formula: C22H25FN4O5 MolecularWeight: 444.456103

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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)CC)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)CC)F)C(=O)[O-]

InChI

InChI=1S/C22H25FN4O5/c1-3-24-12-14(22(31)32)20(29)13-9-15(23)17(10-16(13)24)25-5-7-26(8-6-25)18-11-19(28)27(4-2)21(18)30/h9-10,12,18H,3-8,11H2,1-2H3,(H,31,32)/t18-/m0/s1