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

Systemtic Name: tert-butyl 1-butyl-3-oxidanylidene-4-[3,3,3-tris(fluoranyl)propyl]piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-butyl-3-oxo-4-(3,3,3-trifluoropropyl)piperazin-1-ium-1-carboxylate CAS Name: 1-butyl-3-oxo-4-(3,3,3-trifluoropropyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-butyl-3-oxo-4-(3,3,3-trifluoropropyl)piperazin-1-ium-1-carboxylate Traditional Name: 1-butyl-3-keto-4-(3,3,3-trifluoropropyl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C16H28F3N2O3+ MolecularWeight: 353.40033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28F3N2O3/c1-5-6-10-21(14(23)24-15(2,3)4)11-9-20(13(22)12-21)8-7-16(17,18)19/h5-12H2,1-4H3/q+1