ethanedioic acid; 1-ethyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine

Systemtic Name: ethanedioic acid; 1-ethyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine Openeye Name: 1-ethyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazine; oxalic acid CAS Name: 1-ethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine; oxalic acid IUPAC Name: 1-ethyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine; oxalic acid Traditional Name: 1-ethyl-4-[5-(trifluoromethyl)-2-pyridyl]piperazine; oxalic acid Formula: C16H20F3N3O8 MolecularWeight: 439.34051

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H16F3N3.2C2H2O4/c1-2-17-5-7-18(8-6-17)11-4-3-10(9-16-11)12(13,14)15;2*3-1(4)2(5)6/h3-4,9H,2,5-8H2,1H3;2*(H,3,4)(H,5,6)