1-(2-naphthalen-1-ylethyl)piperazin-4-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 1-(2-naphthalen-1-ylethyl)piperazin-4-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1-[2-(1-naphthyl)ethyl]piperazin-4-ium; 2,2,2-trifluoroacetate CAS Name: 1-[2-(1-naphthalenyl)ethyl]piperazin-4-ium; 2,2,2-trifluoroacetate IUPAC Name: 1-(2-naphthalen-1-ylethyl)piperazin-4-ium; 2,2,2-trifluoroacetate Traditional Name: 1-[2-(1-naphthyl)ethyl]piperazin-4-ium; 2,2,2-trifluoroacetate Formula: C18H21F3N2O2 MolecularWeight: 354.36675

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCC2=CC=CC3=CC=CC=C32.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)CCC2=CC=CC3=CC=CC=C32.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C16H20N2.C2HF3O2/c1-2-7-16-14(4-1)5-3-6-15(16)8-11-18-12-9-17-10-13-18;3-2(4,5)1(6)7/h1-7,17H,8-13H2;(H,6,7)