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

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2,6-bis(chloranyl)pyridine-4-carboxylate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2,6-dichloropyridine-4-carboxylate CAS Name: 2,6-dichloro-4-pyridinecarboxylic 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-dichloropyridine-4-carboxylate Traditional Name: 2,6-dichloroisonicotinic acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C13H11BrCl2N4O3S MolecularWeight: 454.12644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrCl2N4O3S/c1-19-5-11(20(22,6-19)13-17-4-8(14)24-13)23-12(21)7-2-9(15)18-10(16)3-7/h2-4,11H,5-6H2,1H3