N-[(3S)-1-ethylpiperidin-1-ium-3-yl]-7-fluoranyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[(3S)-1-ethylpiperidin-1-ium-3-yl]-7-fluoranyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[(3S)-1-ethylpiperidin-1-ium-3-yl]-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[(3S)-1-ethyl-3-piperidin-1-iumyl]-7-fluoro-2-(1H-pyrazol-4-yl)-4-quinolinecarboxamide IUPAC Name: N-[(3S)-1-ethylpiperidin-1-ium-3-yl]-7-fluoro-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[(3S)-1-ethylpiperidin-1-ium-3-yl]-7-fluoro-2-(1H-pyrazol-4-yl)cinchoninamide Formula: C20H23FN5O+ MolecularWeight: 368.427923

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)NC(=O)C2=CC(=NC3=C2C=CC(=C3)F)C4=CNN=C4

Isomeric SMILES

CC[NH+]1CCC[C@@H](C1)NC(=O)C2=CC(=NC3=C2C=CC(=C3)F)C4=CNN=C4

InChI

InChI=1S/C20H22FN5O/c1-2-26-7-3-4-15(12-26)24-20(27)17-9-18(13-10-22-23-11-13)25-19-8-14(21)5-6-16(17)19/h5-6,8-11,15H,2-4,7,12H2,1H3,(H,22,23)(H,24,27)/p+1/t15-/m0/s1