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

Systemtic Name: 2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl 4-hexoxy-3,5-dimethoxy-benzoate Openeye Name: 2-(3,4-dimethylthiazol-3-ium-5-yl)ethyl 4-hexoxy-3,5-dimethoxy-benzoate CAS Name: 4-hexoxy-3,5-dimethoxybenzoic acid 2-(3,4-dimethyl-5-thiazol-3-iumyl)ethyl ester IUPAC Name: 2-(3,4-dimethyl-1,3-thiazol-3-ium-5-yl)ethyl 4-hexoxy-3,5-dimethoxybenzoate Traditional Name: 4-hexoxy-3,5-dimethoxy-benzoic acid 2-(3,4-dimethylthiazol-3-ium-5-yl)ethyl ester Formula: C22H32NO5S+ MolecularWeight: 422.55818

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H32NO5S/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/q+1