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

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H24F3N4O2+ MolecularWeight: 409.42537

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H23F3N4O2/c21-20(22,23)16-6-2-1-5-15(16)18(29)27-11-9-26(10-12-27)13-17(28)25-19(14-24)7-3-4-8-19/h1-2,5-6H,3-4,7-13H2,(H,25,28)/p+1