2-[[1-ethyl-6-fluoranyl-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-ethyl-6-fluoranyl-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxo-quinoline-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-ethyl-6-fluoro-7-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-4-oxo-3-quinolinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxoquinoline-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[1-ethyl-6-fluoro-7-[4-(2-furoyl)piperazino]-4-keto-quinoline-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C25H31FN5O4+ MolecularWeight: 484.543143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NCC[NH+](C)C

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C25H30FN5O4/c1-4-29-16-18(24(33)27-7-8-28(2)3)23(32)17-14-19(26)21(15-20(17)29)30-9-11-31(12-10-30)25(34)22-6-5-13-35-22/h5-6,13-16H,4,7-12H2,1-3H3,(H,27,33)/p+1