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

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic 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] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C18H23BrN4O4S MolecularWeight: 471.36862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)COC3=CC=C(C=C3)Br)C)[O-]

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)COC3=CC=C(C=C3)Br)C)[O-]

InChI

InChI=1S/C18H23BrN4O4S/c1-18(2,3)16-20-21-17(28-16)23(25)11-22(4)9-14(23)27-15(24)10-26-13-7-5-12(19)6-8-13/h5-8,14H,9-11H2,1-4H3