tert-butyl 1-butyl-3-oxidanylidene-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-butyl-3-oxidanylidene-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-butyl-3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-ium-1-carboxylate CAS Name: 1-butyl-3-oxo-4-(2,2,2-trifluoroethyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-butyl-3-oxo-4-(2,2,2-trifluoroethyl)piperazin-1-ium-1-carboxylate Traditional Name: 1-butyl-3-keto-4-(2,2,2-trifluoroethyl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C15H26F3N2O3+ MolecularWeight: 339.37375

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(C(=O)C1)CC(F)(F)F)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC[N+]1(CCN(C(=O)C1)CC(F)(F)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C15H26F3N2O3/c1-5-6-8-20(13(22)23-14(2,3)4)9-7-19(12(21)10-20)11-15(16,17)18/h5-11H2,1-4H3/q+1