4-(4-hexoxy-3-methoxy-phenyl)carbonyloxybutyl-trimethyl-azanium iodide

Systemtic Name: 4-(4-hexoxy-3-methoxy-phenyl)carbonyloxybutyl-trimethyl-azanium iodide Openeye Name: 4-(4-hexoxy-3-methoxy-benzoyl)oxybutyl-trimethyl-ammonium iodide CAS Name: 4-[(4-hexoxy-3-methoxyphenyl)-oxomethoxy]butyl-trimethylammonium iodide IUPAC Name: 4-(4-hexoxy-3-methoxybenzoyl)oxybutyl-trimethylazanium iodide Traditional Name: 4-(4-hexoxy-3-methoxy-benzoyl)oxybutyl-trimethyl-ammonium iodide Formula: C21H36INO4 MolecularWeight: 493.41931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OCCCC[N+](C)(C)C)OC.[I-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OCCCC[N+](C)(C)C)OC.[I-]

InChI

InChI=1S/C21H36NO4.HI/c1-6-7-8-10-15-25-19-13-12-18(17-20(19)24-5)21(23)26-16-11-9-14-22(2,3)4;/h12-13,17H,6-11,14-16H2,1-5H3;1H/q+1;/p-1