[3-oxidanidyl-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 3-propylfuran-2-carboxylate

Systemtic Name: [3-oxidanidyl-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 3-propylfuran-2-carboxylate Openeye Name: [3-oxido-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 3-propylfuran-2-carboxylate CAS Name: 3-propyl-2-furancarboxylic acid [3-oxido-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-oxido-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 3-propylfuran-2-carboxylate Traditional Name: 3-propylfuran-2-carboxylic acid [3-oxido-1-propyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C19H28N4O4S MolecularWeight: 408.51502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC=C1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)CCC)[O-])CCC

Isomeric SMILES

CCCC1=C(OC=C1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)CCC)[O-])CCC

InChI

InChI=1S/C19H28N4O4S/c1-4-7-14-9-11-26-17(14)18(24)27-16-12-22(10-6-3)13-23(16,25)19-21-20-15(28-19)8-5-2/h9,11,16H,4-8,10,12-13H2,1-3H3