7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-quinolin-4-one

Systemtic Name: 7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-quinolin-4-one Openeye Name: 7-(4-acetylpiperazin-1-yl)-3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-ethyl-6-fluoro-quinolin-4-one CAS Name: 7-(4-acetyl-1-piperazinyl)-1-ethyl-6-fluoro-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4-quinolinone IUPAC Name: 7-(4-acetylpiperazin-1-yl)-3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-ethyl-6-fluoroquinolin-4-one Traditional Name: 7-(4-acetylpiperazino)-3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-ethyl-6-fluoro-4-quinolone Formula: C29H35FN5O3+ MolecularWeight: 520.618303

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H34FN5O3/c1-3-32-20-24(29(38)35-11-9-31(10-12-35)19-22-7-5-4-6-8-22)28(37)23-17-25(30)27(18-26(23)32)34-15-13-33(14-16-34)21(2)36/h4-8,17-18,20H,3,9-16,19H2,1-2H3/p+1