[7-fluoranyl-2-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)quinolin-3-yl]methyl-methyl-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: [7-fluoranyl-2-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)quinolin-3-yl]methyl-methyl-(2-pyrazol-1-ylethyl)azanium Openeye Name: [7-fluoro-2-oxo-1-(2-piperidin-1-ium-1-ylethyl)-3-quinolyl]methyl-methyl-(2-pyrazol-1-ylethyl)ammonium CAS Name: [7-fluoro-2-oxo-1-[2-(1-piperidin-1-iumyl)ethyl]-3-quinolinyl]methyl-methyl-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [7-fluoro-2-oxo-1-(2-piperidin-1-ium-1-ylethyl)quinolin-3-yl]methyl-methyl-(2-pyrazol-1-ylethyl)azanium Traditional Name: [7-fluoro-2-keto-1-(2-piperidin-1-ium-1-ylethyl)-3-quinolyl]methyl-methyl-(2-pyrazol-1-ylethyl)ammonium Formula: C23H32FN5O+2 MolecularWeight: 413.531483

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=CC=N1)CC2=CC3=C(C=C(C=C3)F)N(C2=O)CC[NH+]4CCCCC4

Isomeric SMILES

C[NH+](CCN1C=CC=N1)CC2=CC3=C(C=C(C=C3)F)N(C2=O)CC[NH+]4CCCCC4

InChI

InChI=1S/C23H30FN5O/c1-26(12-14-28-11-5-8-25-28)18-20-16-19-6-7-21(24)17-22(19)29(23(20)30)15-13-27-9-3-2-4-10-27/h5-8,11,16-17H,2-4,9-10,12-15,18H2,1H3/p+2