2-cyano-N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylphenyl]ethanamide

Systemtic Name: 2-cyano-N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylphenyl]ethanamide Openeye Name: 2-cyano-N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenyl]acetamide CAS Name: 2-cyano-N-[4-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]phenyl]acetamide IUPAC Name: 2-cyano-N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenyl]acetamide Traditional Name: 2-cyano-N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenyl]acetamide Formula: C20H19F3N5O2+ MolecularWeight: 418.39237

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C20H18F3N5O2/c21-20(22,23)15-3-6-17(25-13-15)27-9-11-28(12-10-27)19(30)14-1-4-16(5-2-14)26-18(29)7-8-24/h1-6,13H,7,9-12H2,(H,26,29)/p+1