1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-N-[(1R)-3-(2-furyl)-1-methyl-propyl]-4-oxo-quinoline-3-carboxamide CAS Name: 1-cyclopropyl-7-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-N-[(2R)-4-(2-furanyl)butan-2-yl]-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-oxoquinoline-3-carboxamide Traditional Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-N-[(1R)-3-(2-furyl)-1-methyl-propyl]-4-keto-quinoline-3-carboxamide Formula: C27H34FN4O3+ MolecularWeight: 481.582263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NC(C)CCC4=CC=CO4)C5CC5)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)N[C@H](C)CCC4=CC=CO4)C5CC5)F

InChI

InChI=1S/C27H33FN4O3/c1-3-30-10-12-31(13-11-30)25-16-24-21(15-23(25)28)26(33)22(17-32(24)19-7-8-19)27(34)29-18(2)6-9-20-5-4-14-35-20/h4-5,14-19H,3,6-13H2,1-2H3,(H,29,34)/p+1/t18-/m1/s1