[1-hexyl-3-oxidanidyl-3-(5-pentylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 5-propylfuran-3-carboxylate

Systemtic Name: [1-hexyl-3-oxidanidyl-3-(5-pentylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 5-propylfuran-3-carboxylate Openeye Name: [1-hexyl-3-oxido-3-(5-pentylsulfonylthiazol-2-yl)imidazolidin-3-ium-4-yl] 5-propylfuran-3-carboxylate CAS Name: 5-propyl-3-furancarboxylic acid [1-hexyl-3-oxido-3-(5-pentylsulfonyl-2-thiazolyl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-hexyl-3-oxido-3-(5-pentylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 5-propylfuran-3-carboxylate Traditional Name: 5-propylfuran-3-carboxylic acid [3-(5-amylsulfonylthiazol-2-yl)-1-hexyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C25H39N3O6S2 MolecularWeight: 541.72366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC([N+](C1)(C2=NC=C(S2)S(=O)(=O)CCCCC)[O-])OC(=O)C3=COC(=C3)CCC

Isomeric SMILES

CCCCCCN1CC([N+](C1)(C2=NC=C(S2)S(=O)(=O)CCCCC)[O-])OC(=O)C3=COC(=C3)CCC

InChI

InChI=1S/C25H39N3O6S2/c1-4-7-9-10-13-27-17-22(34-24(29)20-15-21(12-6-3)33-18-20)28(30,19-27)25-26-16-23(35-25)36(31,32)14-11-8-5-2/h15-16,18,22H,4-14,17,19H2,1-3H3