1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-N-[4-(2-hydroxyethyl)phenyl]-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-N-[4-(2-hydroxyethyl)phenyl]-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-N-[4-(2-hydroxyethyl)phenyl]-4-oxo-quinoline-3-carboxamide CAS Name: 1-cyclopropyl-7-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-N-[4-(2-hydroxyethyl)phenyl]-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-N-[4-(2-hydroxyethyl)phenyl]-4-oxoquinoline-3-carboxamide Traditional Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-N-[4-(2-hydroxyethyl)phenyl]-4-keto-quinoline-3-carboxamide Formula: C27H32FN4O3+ MolecularWeight: 479.566383

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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=C(C=C4)CCO)C5CC5)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NC4=CC=C(C=C4)CCO)C5CC5)F

InChI

InChI=1S/C27H31FN4O3/c1-2-30-10-12-31(13-11-30)25-16-24-21(15-23(25)28)26(34)22(17-32(24)20-7-8-20)27(35)29-19-5-3-18(4-6-19)9-14-33/h3-6,15-17,20,33H,2,7-14H2,1H3,(H,29,35)/p+1