N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C17H24F3N4O2+ MolecularWeight: 373.39327

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C(F)(F)F)NC(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)C(F)(F)F)NC(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C17H23F3N4O2/c1-3-24(4-2)14-6-5-12(17(18,19)20)9-13(14)22-16(26)11-23-8-7-21-15(25)10-23/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,21,25)(H,22,26)/p+1