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

Systemtic Name: 4-(3,5-dimethoxy-4-octoxy-phenyl)carbonyloxybutyl-trimethyl-azanium iodide Openeye Name: 4-(3,5-dimethoxy-4-octoxy-benzoyl)oxybutyl-trimethyl-ammonium iodide CAS Name: 4-[(3,5-dimethoxy-4-octoxyphenyl)-oxomethoxy]butyl-trimethylammonium iodide IUPAC Name: 4-(3,5-dimethoxy-4-octoxybenzoyl)oxybutyl-trimethylazanium iodide Traditional Name: 4-(3,5-dimethoxy-4-octoxy-benzoyl)oxybutyl-trimethyl-ammonium iodide Formula: C24H42INO5 MolecularWeight: 551.49845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCCC[N+](C)(C)C)OC.[I-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCCC[N+](C)(C)C)OC.[I-]

InChI

InChI=1S/C24H42NO5.HI/c1-7-8-9-10-11-13-16-29-23-21(27-5)18-20(19-22(23)28-6)24(26)30-17-14-12-15-25(2,3)4;/h18-19H,7-17H2,1-6H3;1H/q+1;/p-1