bis[2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl] pentanedioate diiodide

Systemtic Name: bis[2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl] pentanedioate diiodide Openeye Name: bis[2-(3,4-dimethylthiazol-3-ium-5-yl)ethyl] pentanedioate diiodide CAS Name: pentanedioic acid bis[2-(3,4-dimethyl-5-thiazol-3-iumyl)ethyl] ester diiodide IUPAC Name: bis[2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl] pentanedioate diiodide Traditional Name: glutaric acid bis[2-(3,4-dimethylthiazol-3-ium-5-yl)ethyl] ester diiodide Formula: C19H28I2N2O4S2 MolecularWeight: 666.37556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1C)CCOC(=O)CCCC(=O)OCCC2=C([N+](=CS2)C)C.[I-].[I-]

Isomeric SMILES

CC1=C(SC=[N+]1C)CCOC(=O)CCCC(=O)OCCC2=C([N+](=CS2)C)C.[I-].[I-]

InChI

InChI=1S/C19H28N2O4S2.2HI/c1-14-16(26-12-20(14)3)8-10-24-18(22)6-5-7-19(23)25-11-9-17-15(2)21(4)13-27-17;;/h12-13H,5-11H2,1-4H3;2*1H/q+2;;/p-2