N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methyl-quinoline-4-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methyl-quinoline-4-carboxamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methyl-quinoline-4-carboxamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methylquinoline-4-carboxamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methyl-cinchoninamide Formula: C23H26ClN4O+ MolecularWeight: 409.93174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O/c1-3-27-10-12-28(13-11-27)22-9-8-17(24)15-21(22)26-23(29)19-14-16(2)25-20-7-5-4-6-18(19)20/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,29)/p+1