2-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]quinoline-4-carboxamide Openeye Name: 2-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]quinoline-4-carboxamide CAS Name: 2-(4-fluorophenyl)-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]quinoline-4-carboxamide Traditional Name: 2-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]cinchoninamide Formula: C27H27FN5O+ MolecularWeight: 456.534583

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H26FN5O/c1-32-12-14-33(15-13-32)26-11-6-19(17-29-26)18-30-27(34)23-16-25(20-7-9-21(28)10-8-20)31-24-5-3-2-4-22(23)24/h2-11,16-17H,12-15,18H2,1H3,(H,30,34)/p+1