N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[4-(4-bromophenyl)thiazol-2-yl]-1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-quinoline-3-carboxamide CAS Name: N-[4-(4-bromophenyl)-2-thiazolyl]-1-ethyl-6-fluoro-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxoquinoline-3-carboxamide Traditional Name: N-[4-(4-bromophenyl)thiazol-2-yl]-1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxamide Formula: C26H26BrFN5O2S+ MolecularWeight: 571.484343

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)Br

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H25BrFN5O2S/c1-3-32-14-19(25(35)30-26-29-21(15-36-26)16-4-6-17(27)7-5-16)24(34)18-12-20(28)23(13-22(18)32)33-10-8-31(2)9-11-33/h4-7,12-15H,3,8-11H2,1-2H3,(H,29,30,35)/p+1