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

Systemtic Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-quinolin-4-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-quinolin-4-one CAS Name: 1-cyclopropyl-7-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4-quinolinone IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoroquinolin-4-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-quinolone Formula: C30H38FN5O2+2 MolecularWeight: 519.653423

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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)N4CC[NH+](CC4)CC5=CC=CC=C5)C6CC6)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5)C6CC6)F

InChI

InChI=1S/C30H36FN5O2/c1-2-32-10-14-34(15-11-32)28-19-27-24(18-26(28)31)29(37)25(21-36(27)23-8-9-23)30(38)35-16-12-33(13-17-35)20-22-6-4-3-5-7-22/h3-7,18-19,21,23H,2,8-17,20H2,1H3/p+2