3-(4-hexoxy-3,5-dimethoxy-phenyl)carbonyloxypropyl-trimethyl-azanium iodide

Systemtic Name: 3-(4-hexoxy-3,5-dimethoxy-phenyl)carbonyloxypropyl-trimethyl-azanium iodide Openeye Name: 3-(4-hexoxy-3,5-dimethoxy-benzoyl)oxypropyl-trimethyl-ammonium iodide CAS Name: 3-[(4-hexoxy-3,5-dimethoxyphenyl)-oxomethoxy]propyl-trimethylammonium iodide IUPAC Name: 3-(4-hexoxy-3,5-dimethoxybenzoyl)oxypropyl-trimethylazanium iodide Traditional Name: 3-(4-hexoxy-3,5-dimethoxy-benzoyl)oxypropyl-trimethyl-ammonium iodide Formula: C21H36INO5 MolecularWeight: 509.41871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36NO5.HI/c1-7-8-9-10-13-26-20-18(24-5)15-17(16-19(20)25-6)21(23)27-14-11-12-22(2,3)4;/h15-16H,7-14H2,1-6H3;1H/q+1;/p-1