2-(4-quinolin-2-ylcarbonylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-(4-quinolin-2-ylcarbonylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(quinoline-2-carbonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[oxo(2-quinolinyl)methyl]-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(quinoline-2-carbonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-(4-quinaldoylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C23H22F3N4O3+ MolecularWeight: 459.44099

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H21F3N4O3/c24-23(25,26)33-18-8-6-17(7-9-18)27-21(31)15-29-11-13-30(14-12-29)22(32)20-10-5-16-3-1-2-4-19(16)28-20/h1-10H,11-15H2,(H,27,31)/p+1