[(2S)-5-[3-(dimethylamino)propoxy]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2S)-5-[3-(dimethylamino)propoxy]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(1S)-1-carboxy-4-[3-(dimethylamino)propoxy]-4-oxo-butyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(2S)-5-[3-(dimethylamino)propoxy]-1-hydroxy-1,5-dioxopentan-2-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2S)-5-[3-(dimethylamino)propoxy]-1-hydroxy-1,5-dioxopentan-2-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(1S)-1-carboxy-4-[3-(dimethylamino)propoxy]-4-keto-butyl]ammonium; 2,2,2-trifluoroacetate Formula: C12H21F3N2O6 MolecularWeight: 346.30015

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC(=O)CCC(C(=O)O)[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CN(C)CCCOC(=O)CC[C@@H](C(=O)O)[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C10H20N2O4.C2HF3O2/c1-12(2)6-3-7-16-9(13)5-4-8(11)10(14)15;3-2(4,5)1(6)7/h8H,3-7,11H2,1-2H3,(H,14,15);(H,6,7)/t8-;/m0./s1