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

Systemtic Name: 2-(4-fluorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]quinoline-4-carboxamide Openeye Name: 2-(4-fluorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]quinoline-4-carboxamide CAS Name: 2-(4-fluorophenyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-fluorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]quinoline-4-carboxamide Traditional Name: 2-(4-fluorophenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]cinchoninamide Formula: C26H25FN5O+ MolecularWeight: 442.508003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24FN5O/c1-31-12-14-32(15-13-31)25-11-10-20(17-28-25)29-26(33)22-16-24(18-6-8-19(27)9-7-18)30-23-5-3-2-4-21(22)23/h2-11,16-17H,12-15H2,1H3,(H,29,33)/p+1