(4S)-7-fluoranyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-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]-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide Openeye Name: (4S)-7-fluoro-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide CAS Name: (4S)-7-fluoro-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-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]-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]-3,4-dihydro-1H-quinoline-4-carboxamide Formula: C20H23FN5O2+ MolecularWeight: 384.427323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN5O2/c1-25-6-8-26(9-7-25)18-5-3-14(12-22-18)23-20(28)16-11-19(27)24-17-10-13(21)2-4-15(16)17/h2-5,10,12,16H,6-9,11H2,1H3,(H,23,28)(H,24,27)/p+1/t16-/m0/s1