2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Openeye Name: 2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxamide Traditional Name: 2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)cinchoninamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H24N4O2/c1-25-11-13-26(14-12-25)24-22(27)19-15-21(16-7-9-17(28-2)10-8-16)23-20-6-4-3-5-18(19)20/h3-10,15H,11-14H2,1-2H3,(H,24,27)/p+1