2-oxidanylpropane-1,2,3-tricarboxylate; 1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-isopropyl-4-[3-(trifluoromethyl)phenyl]piperazine citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-propan-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-isopropyl-4-[3-(trifluoromethyl)phenyl]piperazine citrate Formula: C20H24F3N2O7-3 MolecularWeight: 461.40897

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC(C)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C14H19F3N2.C6H8O7/c1-11(2)18-6-8-19(9-7-18)13-5-3-4-12(10-13)14(15,16)17;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,10-11H,6-9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3