2-naphthalen-1-yl-2-piperazine-1,4-diium-1-yl-ethanoic acid; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 2-naphthalen-1-yl-2-piperazine-1,4-diium-1-yl-ethanoic acid; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 2-(1-naphthyl)-2-piperazine-1,4-diium-1-yl-acetic acid; 2,2,2-trifluoroacetate CAS Name: 2-(1-naphthalenyl)-2-(1-piperazine-1,4-diiumyl)acetic acid; 2,2,2-trifluoroacetate IUPAC Name: 2-naphthalen-1-yl-2-piperazine-1,4-diium-1-ylacetic acid; 2,2,2-trifluoroacetate Traditional Name: 2-(1-naphthyl)-2-piperazine-1,4-diium-1-yl-acetic acid; 2,2,2-trifluoroacetate Formula: C20H20F6N2O6 MolecularWeight: 498.373019

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)C(C2=CC=CC3=CC=CC=C32)C(=O)O.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1C[NH+](CC[NH2+]1)C(C2=CC=CC3=CC=CC=C32)C(=O)O.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C16H18N2O2.2C2HF3O2/c19-16(20)15(18-10-8-17-9-11-18)14-7-3-5-12-4-1-2-6-13(12)14;2*3-2(4,5)1(6)7/h1-7,15,17H,8-11H2,(H,19,20);2*(H,6,7)