4-(1,3-thiazol-3-ium-3-yl)butyl 4-hexoxy-3,5-dimethoxy-benzoate chloride

Systemtic Name: 4-(1,3-thiazol-3-ium-3-yl)butyl 4-hexoxy-3,5-dimethoxy-benzoate chloride Openeye Name: 4-thiazol-3-ium-3-ylbutyl 4-hexoxy-3,5-dimethoxy-benzoate chloride CAS Name: 4-hexoxy-3,5-dimethoxybenzoic acid 4-(3-thiazol-3-iumyl)butyl ester chloride IUPAC Name: 4-(1,3-thiazol-3-ium-3-yl)butyl 4-hexoxy-3,5-dimethoxybenzoate chloride Traditional Name: 4-hexoxy-3,5-dimethoxy-benzoic acid 4-thiazol-3-ium-3-ylbutyl ester chloride Formula: C22H32ClNO5S MolecularWeight: 458.01118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCCC[N+]2=CSC=C2)OC.[Cl-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCCC[N+]2=CSC=C2)OC.[Cl-]

InChI

InChI=1S/C22H32NO5S.ClH/c1-4-5-6-8-12-27-21-19(25-2)15-18(16-20(21)26-3)22(24)28-13-9-7-10-23-11-14-29-17-23;/h11,14-17H,4-10,12-13H2,1-3H3;1H/q+1;/p-1