[3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2,6-bis(fluoranyl)benzoate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic 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] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C14H12BrF2N3O3S MolecularWeight: 420.229186

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

CN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C14H12BrF2N3O3S/c1-19-6-11(20(22,7-19)14-18-5-10(15)24-14)23-13(21)12-8(16)3-2-4-9(12)17/h2-5,11H,6-7H2,1H3