1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-4-oxidanylidene-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide

Systemtic Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-4-oxidanylidene-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide Openeye Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxo-N-(3-pyridylmethyl)quinoline-3-carboxamide CAS Name: 1-cyclopropyl-7-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-4-oxo-N-(3-pyridinylmethyl)-3-quinolinecarboxamide IUPAC Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide Traditional Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-keto-N-(3-pyridylmethyl)quinoline-3-carboxamide Formula: C25H29FN5O2+ MolecularWeight: 450.528463

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCC4=CN=CC=C4)C5CC5)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCC4=CN=CC=C4)C5CC5)F

InChI

InChI=1S/C25H28FN5O2/c1-2-29-8-10-30(11-9-29)23-13-22-19(12-21(23)26)24(32)20(16-31(22)18-5-6-18)25(33)28-15-17-4-3-7-27-14-17/h3-4,7,12-14,16,18H,2,5-6,8-11,15H2,1H3,(H,28,33)/p+1