[3-(7-bromanyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [3-(7-bromanyl-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: [3-(7-bromo-1,3-benzothiazol-2-yl)-3-oxido-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [3-(7-bromo-1,3-benzothiazol-2-yl)-3-oxido-1-prop-2-ynyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(7-bromo-1,3-benzothiazol-2-yl)-3-oxido-1-prop-2-ynylimidazolidin-3-ium-4-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [3-(7-bromo-1,3-benzothiazol-2-yl)-3-oxido-1-propargyl-imidazolidin-3-ium-4-yl] ester Formula: C19H14BrClN4O3S MolecularWeight: 493.76146

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CC([N+](C1)(C2=NC3=C(S2)C(=CC=C3)Br)[O-])OC(=O)C4=C(N=CC=C4)Cl

Isomeric SMILES

C#CCN1CC([N+](C1)(C2=NC3=C(S2)C(=CC=C3)Br)[O-])OC(=O)C4=C(N=CC=C4)Cl

InChI

InChI=1S/C19H14BrClN4O3S/c1-2-9-24-10-15(28-18(26)12-5-4-8-22-17(12)21)25(27,11-24)19-23-14-7-3-6-13(20)16(14)29-19/h1,3-8,15H,9-11H2