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

Systemtic Name: [1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-butylfuran-2-carboxylate Openeye Name: [1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 4-butylfuran-2-carboxylate CAS Name: 4-butyl-2-furancarboxylic acid [1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 4-butylfuran-2-carboxylate Traditional Name: 4-butylfuran-2-carboxylic acid [1-butyl-3-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C22H34N4O4S MolecularWeight: 450.59476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=COC(=C1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)CCCC)[O-])CCCC

Isomeric SMILES

CCCCC1=COC(=C1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)CCCC)[O-])CCCC

InChI

InChI=1S/C22H34N4O4S/c1-4-7-10-17-13-18(29-15-17)21(27)30-20-14-25(12-9-6-3)16-26(20,28)22-24-23-19(31-22)11-8-5-2/h13,15,20H,4-12,14,16H2,1-3H3