ethyl 4-[1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxo-quinoline-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-cyclopropyl-7-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-4-oxo-3-quinolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxoquinoline-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-keto-quinoline-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H35FN5O4+ MolecularWeight: 500.585603

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)N4CCN(CC4)C(=O)OCC)C5CC5)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)N4CCN(CC4)C(=O)OCC)C5CC5)F

InChI

InChI=1S/C26H34FN5O4/c1-3-28-7-9-29(10-8-28)23-16-22-19(15-21(23)27)24(33)20(17-32(22)18-5-6-18)25(34)30-11-13-31(14-12-30)26(35)36-4-2/h15-18H,3-14H2,1-2H3/p+1