3-azanyl-N-[1-(1-oxidanidylpyridin-1-ium-3-yl)propyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 3-azanyl-N-[1-(1-oxidanidylpyridin-1-ium-3-yl)propyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-amino-N-[1-(1-oxidopyridin-1-ium-3-yl)propyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 3-amino-N-[1-(1-oxido-3-pyridin-1-iumyl)propyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-amino-N-[1-(1-oxidopyridin-1-ium-3-yl)propyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-amino-N-[1-(1-oxidopyridin-1-ium-3-yl)propyl]-2-phenyl-cinchoninamide Formula: C24H22N4O2 MolecularWeight: 398.45708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C[N+](=CC=C1)[O-])NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)N

Isomeric SMILES

CCC(C1=C[N+](=CC=C1)[O-])NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)N

InChI

InChI=1S/C24H22N4O2/c1-2-19(17-11-8-14-28(30)15-17)27-24(29)21-18-12-6-7-13-20(18)26-23(22(21)25)16-9-4-3-5-10-16/h3-15,19H,2,25H2,1H3,(H,27,29)