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

Systemtic Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-4-oxidanylidene-N-[(2S)-2-oxidanyl-2-phenyl-ethyl]quinoline-3-carboxamide Openeye Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-4-oxo-quinoline-3-carboxamide CAS Name: 1-cyclopropyl-7-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]-4-oxoquinoline-3-carboxamide Traditional Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-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)NCC(C4=CC=CC=C4)O)C5CC5)F

Isomeric SMILES

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

InChI

InChI=1S/C27H31FN4O3/c1-2-30-10-12-31(13-11-30)24-15-23-20(14-22(24)28)26(34)21(17-32(23)19-8-9-19)27(35)29-16-25(33)18-6-4-3-5-7-18/h3-7,14-15,17,19,25,33H,2,8-13,16H2,1H3,(H,29,35)/p+1/t25-/m1/s1