2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(2-quinolin-1-iumyl)-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C22H23F3N4O+2 MolecularWeight: 416.43943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C3=[NH+]C4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21F3N4O/c23-22(24,25)17-6-2-4-8-19(17)27-21(30)15-28-11-13-29(14-12-28)20-10-9-16-5-1-3-7-18(16)26-20/h1-10H,11-15H2,(H,27,30)/p+2