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

Systemtic Name: 2-(4-methylphenyl)-N-pyridin-1-ium-2-yl-quinoline-4-carboxamide Openeye Name: 2-(p-tolyl)-N-pyridin-1-ium-2-yl-quinoline-4-carboxamide CAS Name: 2-(4-methylphenyl)-N-(2-pyridin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-methylphenyl)-N-pyridin-1-ium-2-ylquinoline-4-carboxamide Traditional Name: 2-(p-tolyl)-N-pyridin-1-ium-2-yl-cinchoninamide Formula: C22H18N3O+ MolecularWeight: 340.39782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C22H17N3O/c1-15-9-11-16(12-10-15)20-14-18(17-6-2-3-7-19(17)24-20)22(26)25-21-8-4-5-13-23-21/h2-14H,1H3,(H,23,25,26)/p+1