1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-(1-naphthylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-(1-naphthalenylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-(naphthalen-1-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(1-naphthylmethyl)-4-[4-(trifluoromethyl)benzyl]piperazin-4-ium binoxalate Formula: C25H25F3N2O4 MolecularWeight: 474.47221

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H23F3N2.C2H2O4/c24-23(25,26)21-10-8-18(9-11-21)16-27-12-14-28(15-13-27)17-20-6-3-5-19-4-1-2-7-22(19)20;3-1(4)2(5)6/h1-11H,12-17H2;(H,3,4)(H,5,6)