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

Systemtic Name: 4-(4-hexoxy-3,5-dimethoxy-phenyl)carbonyloxybutyl-trimethyl-azanium iodide Openeye Name: 4-(4-hexoxy-3,5-dimethoxy-benzoyl)oxybutyl-trimethyl-ammonium iodide CAS Name: 4-[(4-hexoxy-3,5-dimethoxyphenyl)-oxomethoxy]butyl-trimethylammonium iodide IUPAC Name: 4-(4-hexoxy-3,5-dimethoxybenzoyl)oxybutyl-trimethylazanium iodide Traditional Name: 4-(4-hexoxy-3,5-dimethoxy-benzoyl)oxybutyl-trimethyl-ammonium iodide Formula: C22H38INO5 MolecularWeight: 523.44529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38NO5.HI/c1-7-8-9-11-14-27-21-19(25-5)16-18(17-20(21)26-6)22(24)28-15-12-10-13-23(2,3)4;/h16-17H,7-15H2,1-6H3;1H/q+1;/p-1