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

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-methylfuran-2-carboxylate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-methylfuran-2-carboxylate CAS Name: 4-methyl-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-methylfuran-2-carboxylate Traditional Name: 4-methylfuran-2-carboxylic acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C13H14BrN3O4S MolecularWeight: 388.23696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC(=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C

Isomeric SMILES

CC1=COC(=C1)C(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C

InChI

InChI=1S/C13H14BrN3O4S/c1-8-3-9(20-6-8)12(18)21-11-5-16(2)7-17(11,19)13-15-4-10(14)22-13/h3-4,6,11H,5,7H2,1-2H3