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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(3S)-1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-ethyl-6-fluoro-7-[4-[(3S)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-7-[4-[(3S)-1-methyl-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 7-[4-[(3S)-2,5-diketo-1-methyl-pyrrolidin-3-yl]piperazin-4-ium-1-yl]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylate Formula: C21H23FN4O5 MolecularWeight: 430.429523

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

InChI

InChI=1S/C21H23FN4O5/c1-3-24-11-13(21(30)31)19(28)12-8-14(22)16(9-15(12)24)25-4-6-26(7-5-25)17-10-18(27)23(2)20(17)29/h8-9,11,17H,3-7,10H2,1-2H3,(H,30,31)/t17-/m0/s1