[(2S)-6-azaniumyl-1-oxidanylidene-1-prop-2-enoxy-hexan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2S)-6-azaniumyl-1-oxidanylidene-1-prop-2-enoxy-hexan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(5S)-6-allyloxy-5-azaniumyl-6-oxo-hexyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(2S)-6-ammonio-1-oxo-1-prop-2-enoxyhexan-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2S)-6-azaniumyl-1-oxo-1-prop-2-enoxyhexan-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(5S)-6-allyloxy-5-ammonio-6-keto-hexyl]ammonium; 2,2,2-trifluoroacetate Formula: C13H20F6N2O6 MolecularWeight: 414.298119

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C(CCCC[NH3+])[NH3+].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C=CCOC(=O)[C@H](CCCC[NH3+])[NH3+].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C9H18N2O2.2C2HF3O2/c1-2-7-13-9(12)8(11)5-3-4-6-10;2*3-2(4,5)1(6)7/h2,8H,1,3-7,10-11H2;2*(H,6,7)/t8-;;/m0../s1