1-(3-fluorophenyl)piperazin-4-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 1-(3-fluorophenyl)piperazin-4-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1-(3-fluorophenyl)piperazin-4-ium; 2,2,2-trifluoroacetate CAS Name: 1-(3-fluorophenyl)piperazin-4-ium; 2,2,2-trifluoroacetate IUPAC Name: 1-(3-fluorophenyl)piperazin-4-ium; 2,2,2-trifluoroacetate Traditional Name: 1-(3-fluorophenyl)piperazin-4-ium; 2,2,2-trifluoroacetate Formula: C12H14F4N2O2 MolecularWeight: 294.245373

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=CC=C2)F.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=CC=C2)F.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C10H13FN2.C2HF3O2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;3-2(4,5)1(6)7/h1-3,8,12H,4-7H2;(H,6,7)