hexyl 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium-5-carboxylate iodide

Systemtic Name: hexyl 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium-5-carboxylate iodide Openeye Name: hexyl 6,7-dimethylimidazo[2,1-b]thiazol-4-ium-5-carboxylate iodide CAS Name: 6,7-dimethyl-5-imidazo[2,1-b]thiazol-4-iumcarboxylic acid hexyl ester iodide IUPAC Name: hexyl 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium-5-carboxylate iodide Traditional Name: 6,7-dimethylimidazo[2,1-b]thiazol-4-ium-5-carboxylic acid hexyl ester iodide Formula: C14H21IN2O2S MolecularWeight: 408.29821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(N(C2=[N+]1C=CS2)C)C.[I-]

Isomeric SMILES

CCCCCCOC(=O)C1=C(N(C2=[N+]1C=CS2)C)C.[I-]

InChI

InChI=1S/C14H21N2O2S.HI/c1-4-5-6-7-9-18-13(17)12-11(2)15(3)14-16(12)8-10-19-14;/h8,10H,4-7,9H2,1-3H3;1H/q+1;/p-1