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

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-hexyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4,5-dimethylpyridine-2-carboxylate Openeye Name: [3-(5-bromothiazol-2-yl)-1-hexyl-3-oxido-imidazolidin-3-ium-4-yl] 4,5-dimethylpyridine-2-carboxylate CAS Name: 4,5-dimethyl-2-pyridinecarboxylic acid [3-(5-bromo-2-thiazolyl)-1-hexyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-hexyl-3-oxidoimidazolidin-3-ium-4-yl] 4,5-dimethylpyridine-2-carboxylate Traditional Name: 4,5-dimethylpicolinic acid [3-(5-bromothiazol-2-yl)-1-hexyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H27BrN4O3S MolecularWeight: 483.42238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)C3=NC=C(C(=C3)C)C

Isomeric SMILES

CCCCCCN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)C3=NC=C(C(=C3)C)C

InChI

InChI=1S/C20H27BrN4O3S/c1-4-5-6-7-8-24-12-18(25(27,13-24)20-23-11-17(21)29-20)28-19(26)16-9-14(2)15(3)10-22-16/h9-11,18H,4-8,12-13H2,1-3H3