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

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-but-3-enyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] pyridine-2-carboxylate Openeye Name: [3-(5-bromothiazol-2-yl)-1-but-3-enyl-3-oxido-imidazolidin-3-ium-4-yl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [3-(5-bromo-2-thiazolyl)-1-but-3-enyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-but-3-enyl-3-oxidoimidazolidin-3-ium-4-yl] pyridine-2-carboxylate Traditional Name: picolinic acid [3-(5-bromothiazol-2-yl)-1-but-3-enyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C16H17BrN4O3S MolecularWeight: 425.30018

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)C3=CC=CC=N3

Isomeric SMILES

C=CCCN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)C3=CC=CC=N3

InChI

InChI=1S/C16H17BrN4O3S/c1-2-3-8-20-10-14(24-15(22)12-6-4-5-7-18-12)21(23,11-20)16-19-9-13(17)25-16/h2,4-7,9,14H,1,3,8,10-11H2