[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methylbut-3-yn-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-methoxybenzoate

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methylbut-3-yn-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-methoxybenzoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(1,1-dimethylprop-2-ynyl)-3-oxido-imidazolidin-3-ium-4-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methylbut-3-yn-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methylbut-3-yn-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(1,1-dimethylprop-2-ynyl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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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)OC)C(C)(C)C#C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-8-22(5,6)25-13-17(30-18(27)15-9-11-16(29-7)12-10-15)26(28,14-25)20-24-23-19(31-20)21(2,3)4/h1,9-12,17H,13-14H2,2-7H3