(4S)-7-fluoranyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide

Systemtic Name: (4S)-7-fluoranyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide Openeye Name: (4S)-7-fluoro-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide CAS Name: (4S)-7-fluoro-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide IUPAC Name: (4S)-7-fluoro-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide Traditional Name: (4S)-7-fluoro-2-keto-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide Formula: C21H25FN5O2+ MolecularWeight: 398.453903

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3CC(=O)NC4=C3C=CC(=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)[C@H]3CC(=O)NC4=C3C=CC(=C4)F

InChI

InChI=1S/C21H24FN5O2/c1-26-6-8-27(9-7-26)19-5-2-14(12-23-19)13-24-21(29)17-11-20(28)25-18-10-15(22)3-4-16(17)18/h2-5,10,12,17H,6-9,11,13H2,1H3,(H,24,29)(H,25,28)/p+1/t17-/m0/s1