1-hex-1-yn-3-yl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-ol

Systemtic Name: 1-hex-1-yn-3-yl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-ol Openeye Name: 1-(1-ethynylbutyl)-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-ol CAS Name: 1-hex-1-yn-3-yl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4-imidazolidin-3-iumol IUPAC Name: 1-hex-1-yn-3-yl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-ol Traditional Name: 3-oxido-1-(1-propylprop-2-ynyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-ol Formula: C12H15F3N4O2S MolecularWeight: 336.33331

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#C)N1CC([N+](C1)(C2=NN=C(S2)C(F)(F)F)[O-])O

Isomeric SMILES

CCCC(C#C)N1CC([N+](C1)(C2=NN=C(S2)C(F)(F)F)[O-])O

InChI

InChI=1S/C12H15F3N4O2S/c1-3-5-8(4-2)18-6-9(20)19(21,7-18)11-17-16-10(22-11)12(13,14)15/h2,8-9,20H,3,5-7H2,1H3