2-(4-bromophenyl)-N-pyridin-1-ium-2-yl-quinoline-4-carboxamide

Systemtic Name: 2-(4-bromophenyl)-N-pyridin-1-ium-2-yl-quinoline-4-carboxamide Openeye Name: 2-(4-bromophenyl)-N-pyridin-1-ium-2-yl-quinoline-4-carboxamide CAS Name: 2-(4-bromophenyl)-N-(2-pyridin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-bromophenyl)-N-pyridin-1-ium-2-ylquinoline-4-carboxamide Traditional Name: 2-(4-bromophenyl)-N-pyridin-1-ium-2-yl-cinchoninamide Formula: C21H15BrN3O+ MolecularWeight: 405.2673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)NC4=CC=CC=[NH+]4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C21H14BrN3O/c22-15-10-8-14(9-11-15)19-13-17(16-5-1-2-6-18(16)24-19)21(26)25-20-7-3-4-12-23-20/h1-13H,(H,23,25,26)/p+1