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

Systemtic Name: [3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-pentyl-imidazolidin-3-ium-4-yl] 4-hexylfuran-2-carboxylate Openeye Name: [3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-pentyl-imidazolidin-3-ium-4-yl] 4-hexylfuran-2-carboxylate CAS Name: 4-hexyl-2-furancarboxylic acid [3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-pentyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-pentylimidazolidin-3-ium-4-yl] 4-hexylfuran-2-carboxylate Traditional Name: 4-hexylfuran-2-carboxylic acid [1-amyl-3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C27H44N4O4S MolecularWeight: 520.72766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=COC(=C1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)CCCCCC)[O-])CCCCC

Isomeric SMILES

CCCCCCC1=COC(=C1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)CCCCCC)[O-])CCCCC

InChI

InChI=1S/C27H44N4O4S/c1-4-7-10-12-15-22-18-23(34-20-22)26(32)35-25-19-30(17-14-9-6-3)21-31(25,33)27-29-28-24(36-27)16-13-11-8-5-2/h18,20,25H,4-17,19,21H2,1-3H3