3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-fluoranyl-1-(pyridin-4-ylmethyl)quinolin-2-one

Systemtic Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-fluoranyl-1-(pyridin-4-ylmethyl)quinolin-2-one Openeye Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-fluoro-1-(4-pyridylmethyl)quinolin-2-one CAS Name: 3-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-fluoro-1-(pyridin-4-ylmethyl)-2-quinolinone IUPAC Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-fluoro-1-(pyridin-4-ylmethyl)quinolin-2-one Traditional Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-fluoro-1-(4-pyridylmethyl)carbostyril Formula: C23H27FN3O+ MolecularWeight: 380.478383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC3=C(C=C(C=C3)F)N(C2=O)CC4=CC=NC=C4

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=CC3=C(C=C(C=C3)F)N(C2=O)CC4=CC=NC=C4

InChI

InChI=1S/C23H26FN3O/c1-2-21-5-3-4-12-26(21)16-19-13-18-6-7-20(24)14-22(18)27(23(19)28)15-17-8-10-25-11-9-17/h6-11,13-14,21H,2-5,12,15-16H2,1H3/p+1/t21-/m0/s1