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

Systemtic Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-hexyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-bromanyloxolane-2-carboxylate Openeye Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-hexyl-3-oxido-imidazolidin-3-ium-4-yl] 4-bromotetrahydrofuran-2-carboxylate CAS Name: 4-bromo-2-oxolanecarboxylic 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-bromooxolane-2-carboxylate Traditional Name: 4-bromotetrahydrofuran-2-carboxylic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-hexyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H29BrN4O4S MolecularWeight: 489.42696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC([N+](C1)(C2=NN=C(S2)C3CC3)[O-])OC(=O)C4CC(CO4)Br

Isomeric SMILES

CCCCCCN1CC([N+](C1)(C2=NN=C(S2)C3CC3)[O-])OC(=O)C4CC(CO4)Br

InChI

InChI=1S/C19H29BrN4O4S/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/h13-16H,2-12H2,1H3