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

Systemtic Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-(trifluoromethyl)benzoate Openeye Name: [3-(5-cyclopentyl-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-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-cyclopentyl-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-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H21F3N4O3S MolecularWeight: 442.45525

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NN=C(S2)C3CCCC3)[O-])OC(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CN1CC([N+](C1)(C2=NN=C(S2)C3CCCC3)[O-])OC(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O3S/c1-25-10-15(29-17(27)13-6-8-14(9-7-13)19(20,21)22)26(28,11-25)18-24-23-16(30-18)12-4-2-3-5-12/h6-9,12,15H,2-5,10-11H2,1H3