2-[4-(1H-indol-3-ylcarbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(1H-indol-3-ylcarbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(1H-indole-3-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[1H-indol-3-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(1H-indole-3-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(1H-indole-3-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C22H22F3N4O2+ MolecularWeight: 431.43089

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H21F3N4O2/c23-22(24,25)17-6-2-4-8-19(17)27-20(30)14-28-9-11-29(12-10-28)21(31)16-13-26-18-7-3-1-5-15(16)18/h1-8,13,26H,9-12,14H2,(H,27,30)/p+1