[1-methyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 2,6-dimethoxybenzoate

Systemtic Name: [1-methyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 2,6-dimethoxybenzoate Openeye Name: [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic 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] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ester Formula: C16H17F3N4O5S MolecularWeight: 434.39019

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NN=C(S2)C(F)(F)F)[O-])OC(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CN1CC([N+](C1)(C2=NN=C(S2)C(F)(F)F)[O-])OC(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C16H17F3N4O5S/c1-22-7-11(23(25,8-22)15-21-20-14(29-15)16(17,18)19)28-13(24)12-9(26-2)5-4-6-10(12)27-3/h4-6,11H,7-8H2,1-3H3