3-[2-(4-hexoxy-3,5-dimethoxy-phenyl)ethanoyloxy]propyl-trimethyl-azanium iodide

Systemtic Name: 3-[2-(4-hexoxy-3,5-dimethoxy-phenyl)ethanoyloxy]propyl-trimethyl-azanium iodide Openeye Name: 3-[2-(4-hexoxy-3,5-dimethoxy-phenyl)acetyl]oxypropyl-trimethyl-ammonium iodide CAS Name: 3-[2-(4-hexoxy-3,5-dimethoxyphenyl)-1-oxoethoxy]propyl-trimethylammonium iodide IUPAC Name: 3-[2-(4-hexoxy-3,5-dimethoxyphenyl)acetyl]oxypropyl-trimethylazanium iodide Traditional Name: 3-[2-(4-hexoxy-3,5-dimethoxy-phenyl)acetyl]oxypropyl-trimethyl-ammonium iodide Formula: C22H38INO5 MolecularWeight: 523.44529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38NO5.HI/c1-7-8-9-10-13-28-22-19(25-5)15-18(16-20(22)26-6)17-21(24)27-14-11-12-23(2,3)4;/h15-16H,7-14,17H2,1-6H3;1H/q+1;/p-1