N-(2-chlorophenyl)-2-(4-quinolin-5-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-(4-quinolin-5-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(quinoline-5-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[oxo(5-quinolinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(quinoline-5-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(quinoline-5-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H22ClN4O2+ MolecularWeight: 409.88868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=C4C=CC=NC4=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=C4C=CC=NC4=CC=C3

InChI

InChI=1S/C22H21ClN4O2/c23-18-7-1-2-8-20(18)25-21(28)15-26-11-13-27(14-12-26)22(29)17-5-3-9-19-16(17)6-4-10-24-19/h1-10H,11-15H2,(H,25,28)/p+1