[3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-hexyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-bromanylfuran-2-carboxylate

Systemtic Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-hexyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-bromanylfuran-2-carboxylate Openeye Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-hexyl-3-oxido-imidazolidin-3-ium-4-yl] 4-bromofuran-2-carboxylate CAS Name: 4-bromo-2-furancarboxylic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-hexyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-hexyl-3-oxidoimidazolidin-3-ium-4-yl] 4-bromofuran-2-carboxylate Traditional Name: 4-bromofuran-2-carboxylic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-hexyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H25BrN4O4S MolecularWeight: 485.3952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC([N+](C1)(C2=NN=C(S2)C3CC3)[O-])OC(=O)C4=CC(=CO4)Br

Isomeric SMILES

CCCCCCN1CC([N+](C1)(C2=NN=C(S2)C3CC3)[O-])OC(=O)C4=CC(=CO4)Br

InChI

InChI=1S/C19H25BrN4O4S/c1-2-3-4-5-8-23-10-16(28-18(25)15-9-14(20)11-27-15)24(26,12-23)19-22-21-17(29-19)13-6-7-13/h9,11,13,16H,2-8,10,12H2,1H3