1-butan-2-yl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine; ethanedioic acid

Systemtic Name: 1-butan-2-yl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine; ethanedioic acid Openeye Name: oxalic acid; 1-sec-butyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine CAS Name: 1-butan-2-yl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-butan-2-yl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine; oxalic acid Traditional Name: oxalic acid; 1-sec-butyl-4-[2-(trifluoromethyl)benzyl]piperazine Formula: C18H25F3N2O4 MolecularWeight: 390.39731

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)CC2=CC=CC=C2C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)N1CCN(CC1)CC2=CC=CC=C2C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23F3N2.C2H2O4/c1-3-13(2)21-10-8-20(9-11-21)12-14-6-4-5-7-15(14)16(17,18)19;3-1(4)2(5)6/h4-7,13H,3,8-12H2,1-2H3;(H,3,4)(H,5,6)