2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl 4-hexoxy-3,5-dimethoxy-benzoate iodide

Systemtic Name: 2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl 4-hexoxy-3,5-dimethoxy-benzoate iodide Openeye Name: 2-(3,4-dimethylthiazol-3-ium-5-yl)ethyl 4-hexoxy-3,5-dimethoxy-benzoate iodide CAS Name: 4-hexoxy-3,5-dimethoxybenzoic acid 2-(3,4-dimethyl-5-thiazol-3-iumyl)ethyl ester iodide IUPAC Name: 2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl 4-hexoxy-3,5-dimethoxybenzoate iodide Traditional Name: 4-hexoxy-3,5-dimethoxy-benzoic acid 2-(3,4-dimethylthiazol-3-ium-5-yl)ethyl ester iodide Formula: C22H32INO5S MolecularWeight: 549.46265

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCC2=C([N+](=CS2)C)C)OC.[I-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCC2=C([N+](=CS2)C)C)OC.[I-]

InChI

InChI=1S/C22H32NO5S.HI/c1-6-7-8-9-11-27-21-18(25-4)13-17(14-19(21)26-5)22(24)28-12-10-20-16(2)23(3)15-29-20;/h13-15H,6-12H2,1-5H3;1H/q+1;/p-1