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

Systemtic Name: [2-(3-bromanylpropyl)-3-(5-bromanyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] pyridine-2-carboxylate Openeye Name: [2-(3-bromopropyl)-3-(5-bromothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [2-(3-bromopropyl)-3-(5-bromo-2-thiazolyl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [2-(3-bromopropyl)-3-(5-bromo-1,3-thiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] pyridine-2-carboxylate Traditional Name: picolinic acid [2-(3-bromopropyl)-3-(5-bromothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C15H16Br2N4O3S MolecularWeight: 492.18554

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Descriptors Computed from Structure

Canonical SMILES:

C1C([N+](C(N1)CCCBr)(C2=NC=C(S2)Br)[O-])OC(=O)C3=CC=CC=N3

Isomeric SMILES

C1C([N+](C(N1)CCCBr)(C2=NC=C(S2)Br)[O-])OC(=O)C3=CC=CC=N3

InChI

InChI=1S/C15H16Br2N4O3S/c16-6-3-5-12-19-9-13(21(12,23)15-20-8-11(17)25-15)24-14(22)10-4-1-2-7-18-10/h1-2,4,7-8,12-13,19H,3,5-6,9H2