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

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-(trifluoromethyl)benzoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C18H21F3N4O3S MolecularWeight: 430.44455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=C(C=C3)C(F)(F)F)C)[O-]

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=C(C=C3)C(F)(F)F)C)[O-]

InChI

InChI=1S/C18H21F3N4O3S/c1-17(2,3)15-22-23-16(29-15)25(27)10-24(4)9-13(25)28-14(26)11-5-7-12(8-6-11)18(19,20)21/h5-8,13H,9-10H2,1-4H3