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

Systemtic Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-4-oxidanylidene-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide Openeye Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxo-N-(4-pyridylmethyl)quinoline-3-carboxamide CAS Name: 1-cyclopropyl-7-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-4-oxo-N-(pyridin-4-ylmethyl)-3-quinolinecarboxamide IUPAC Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide Traditional Name: 1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-keto-N-(4-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=CC=NC=C4)C5CC5)F

Isomeric SMILES

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

InChI

InChI=1S/C25H28FN5O2/c1-2-29-9-11-30(12-10-29)23-14-22-19(13-21(23)26)24(32)20(16-31(22)18-3-4-18)25(33)28-15-17-5-7-27-8-6-17/h5-8,13-14,16,18H,2-4,9-12,15H2,1H3,(H,28,33)/p+1