N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(3-pyridyl)cinchoninamide Formula: C25H24N5O2+ MolecularWeight: 426.49036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H23N5O2/c31-25(28-16-18-7-8-24(27-15-18)30-10-12-32-13-11-30)21-14-23(19-4-3-9-26-17-19)29-22-6-2-1-5-20(21)22/h1-9,14-15,17H,10-13,16H2,(H,28,31)/p+1