ethanedioic acid; 2-[4-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]ethanamide

Systemtic Name: ethanedioic acid; 2-[4-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]ethanamide Openeye Name: oxalic acid; 2-[4-(2-pyridyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]acetamide CAS Name: oxalic acid; 2-[4-(2-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: oxalic acid; 2-[4-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]acetamide Traditional Name: oxalic acid; 2-[4-(2-pyridyl)-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]acetamide Formula: C22H24F3N4O9+ MolecularWeight: 545.44257

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1CC(=O)N)(C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=N3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1C[N+](CCN1CC(=O)N)(C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=N3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19F3N4O.2C2H2O4/c19-18(20,21)14-4-3-5-15(12-14)25(17-6-1-2-7-23-17)10-8-24(9-11-25)13-16(22)26;2*3-1(4)2(5)6/h1-7,12H,8-11,13H2,(H-,22,26);2*(H,3,4)(H,5,6)/p+1