[3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-ethylfuran-2-carboxylate

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-ethylfuran-2-carboxylate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-ethylfuran-2-carboxylate CAS Name: 4-ethyl-2-furancarboxylic acid [3-(5-bromo-2-thiazolyl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 4-ethylfuran-2-carboxylate Traditional Name: 4-ethylfuran-2-carboxylic acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C14H16BrN3O4S MolecularWeight: 402.26354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=COC(=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C

Isomeric SMILES

CCC1=COC(=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C

InChI

InChI=1S/C14H16BrN3O4S/c1-3-9-4-10(21-7-9)13(19)22-12-6-17(2)8-18(12,20)14-16-5-11(15)23-14/h4-5,7,12H,3,6,8H2,1-2H3