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

Systemtic Name: [1-methyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 4-chloranylbenzoate Openeye Name: [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ester Formula: C14H12ClF3N4O3S MolecularWeight: 408.78329

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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=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClF3N4O3S/c1-21-6-10(25-11(23)8-2-4-9(15)5-3-8)22(24,7-21)13-20-19-12(26-13)14(16,17)18/h2-5,10H,6-7H2,1H3