2-(1-phenacylpyridin-1-ium-4-yl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide bromide

Systemtic Name: 2-(1-phenacylpyridin-1-ium-4-yl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide bromide Openeye Name: 2-(1-phenacylpyridin-1-ium-4-yl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide bromide CAS Name: 2-(1-phenacyl-4-pyridin-1-iumyl)-N-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxamide bromide IUPAC Name: 2-(1-phenacylpyridin-1-ium-4-yl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide bromide Traditional Name: 2-(1-phenacylpyridin-1-ium-4-yl)-N-[3-(trifluoromethyl)phenyl]cinchoninamide bromide Formula: C30H21BrF3N3O2 MolecularWeight: 592.40585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC=CC(=C5)C(F)(F)F.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC=CC(=C5)C(F)(F)F.[Br-]

InChI

InChI=1S/C30H20F3N3O2.BrH/c31-30(32,33)22-9-6-10-23(17-22)34-29(38)25-18-27(35-26-12-5-4-11-24(25)26)20-13-15-36(16-14-20)19-28(37)21-7-2-1-3-8-21;/h1-18H,19H2;1H