[1-methyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ethanoate

Systemtic Name: [1-methyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ethanoate Openeye Name: [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] acetate CAS Name: acetic acid [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] acetate Traditional Name: acetic acid [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ester Formula: C9H11F3N4O3S MolecularWeight: 312.26885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CN(C[N+]1(C2=NN=C(S2)C(F)(F)F)[O-])C

Isomeric SMILES

CC(=O)OC1CN(C[N+]1(C2=NN=C(S2)C(F)(F)F)[O-])C

InChI

InChI=1S/C9H11F3N4O3S/c1-5(17)19-6-3-15(2)4-16(6,18)8-14-13-7(20-8)9(10,11)12/h6H,3-4H2,1-2H3