1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-N-(phenylmethyl)quinoline-3-carboxamide

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-N-(phenylmethyl)quinoline-3-carboxamide Openeye Name: N-benzyl-1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-quinoline-3-carboxamide CAS Name: 1-ethyl-6-fluoro-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-N-(phenylmethyl)-3-quinolinecarboxamide IUPAC Name: N-benzyl-1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxoquinoline-3-carboxamide Traditional Name: N-benzyl-1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxamide Formula: C24H28FN4O2+ MolecularWeight: 423.503123

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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)NCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H27FN4O2/c1-3-28-16-19(24(31)26-15-17-7-5-4-6-8-17)23(30)18-13-20(25)22(14-21(18)28)29-11-9-27(2)10-12-29/h4-8,13-14,16H,3,9-12,15H2,1-2H3,(H,26,31)/p+1