N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-pyridyl)cinchoninamide Formula: C26H26N5O+ MolecularWeight: 424.51754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C26H25N5O/c1-30-14-16-31(17-15-30)25-9-5-4-8-23(25)29-26(32)21-18-24(19-10-12-27-13-11-19)28-22-7-3-2-6-20(21)22/h2-13,18H,14-17H2,1H3,(H,29,32)/p+1