1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-N-(6-methylpyridin-2-yl)-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-N-(6-methylpyridin-2-yl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-N-(6-methyl-2-pyridyl)-4-oxo-quinoline-3-carboxamide CAS Name: 1-cyclopropyl-7-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-N-(6-methyl-2-pyridinyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-N-(6-methylpyridin-2-yl)-4-oxoquinoline-3-carboxamide Traditional Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-keto-N-(6-methyl-2-pyridyl)quinoline-3-carboxamide Formula: C25H29FN5O2+ MolecularWeight: 450.528463

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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)NC4=CC=CC(=N4)C)C5CC5)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NC4=CC=CC(=N4)C)C5CC5)F

InChI

InChI=1S/C25H28FN5O2/c1-3-29-9-11-30(12-10-29)22-14-21-18(13-20(22)26)24(32)19(15-31(21)17-7-8-17)25(33)28-23-6-4-5-16(2)27-23/h4-6,13-15,17H,3,7-12H2,1-2H3,(H,27,28,33)/p+1