[(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(1S)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(1S)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl]ammonium; 2,2,2-trifluoroacetate Formula: C15H23F3N2O3 MolecularWeight: 336.34993

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C13H22N2O.C2HF3O2/c1-8(14)12(16)15-13-5-9-2-10(6-13)4-11(3-9)7-13;3-2(4,5)1(6)7/h8-11H,2-7,14H2,1H3,(H,15,16);(H,6,7)/t8-,9?,10?,11?,13?;/m0./s1