N-(2-cyanoethyl)-2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-2-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H20F3N4O2+ MolecularWeight: 369.36151

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC#N)C(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC#N)C(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C17H19F3N4O2/c18-17(19,20)14-5-2-1-4-13(14)16(26)24-10-8-23(9-11-24)12-15(25)22-7-3-6-21/h1-2,4-5H,3,7-12H2,(H,22,25)/p+1