[3-(6-iodanyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-propyl-imidazolidin-3-ium-4-yl] 2-bromanylpyridine-3-carboxylate

Systemtic Name: [3-(6-iodanyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-propyl-imidazolidin-3-ium-4-yl] 2-bromanylpyridine-3-carboxylate Openeye Name: [3-(6-iodo-1,3-benzothiazol-2-yl)-3-oxido-1-propyl-imidazolidin-3-ium-4-yl] 2-bromopyridine-3-carboxylate CAS Name: 2-bromo-3-pyridinecarboxylic acid [3-(6-iodo-1,3-benzothiazol-2-yl)-3-oxido-1-propyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(6-iodo-1,3-benzothiazol-2-yl)-3-oxido-1-propylimidazolidin-3-ium-4-yl] 2-bromopyridine-3-carboxylate Traditional Name: 2-bromonicotinic acid [3-(6-iodo-1,3-benzothiazol-2-yl)-3-oxido-1-propyl-imidazolidin-3-ium-4-yl] ester Formula: C19H18BrIN4O3S MolecularWeight: 589.24469

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC([N+](C1)(C2=NC3=C(S2)C=C(C=C3)I)[O-])OC(=O)C4=C(N=CC=C4)Br

Isomeric SMILES

CCCN1CC([N+](C1)(C2=NC3=C(S2)C=C(C=C3)I)[O-])OC(=O)C4=C(N=CC=C4)Br

InChI

InChI=1S/C19H18BrIN4O3S/c1-2-8-24-10-16(28-18(26)13-4-3-7-22-17(13)20)25(27,11-24)19-23-14-6-5-12(21)9-15(14)29-19/h3-7,9,16H,2,8,10-11H2,1H3