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

Systemtic Name: 3-[[1-ethyl-6-fluoranyl-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-quinolin-3-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxo-quinoline-3-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1-ethyl-6-fluoro-7-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-4-oxo-3-quinolinyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxoquinoline-3-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[1-ethyl-6-fluoro-7-[4-(2-furoyl)piperazino]-4-keto-quinoline-3-carbonyl]amino]propyl-dimethyl-ammonium Formula: C26H33FN5O4+ MolecularWeight: 498.569723

Click to see the large picture

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)NCCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32FN5O4/c1-4-30-17-19(25(34)28-8-6-9-29(2)3)24(33)18-15-20(27)22(16-21(18)30)31-10-12-32(13-11-31)26(35)23-7-5-14-36-23/h5,7,14-17H,4,6,8-13H2,1-3H3,(H,28,34)/p+1