2-[4-[4-(4-methoxyphenyl)hex-3-en-3-yl]phenoxy]ethyl-trimethyl-azanium iodide

Systemtic Name: 2-[4-[4-(4-methoxyphenyl)hex-3-en-3-yl]phenoxy]ethyl-trimethyl-azanium iodide Openeye Name: 2-[4-[1-ethyl-2-(4-methoxyphenyl)but-1-enyl]phenoxy]ethyl-trimethyl-ammonium iodide CAS Name: 2-[4-[4-(4-methoxyphenyl)hex-3-en-3-yl]phenoxy]ethyl-trimethylammonium iodide IUPAC Name: 2-[4-[4-(4-methoxyphenyl)hex-3-en-3-yl]phenoxy]ethyl-trimethylazanium iodide Traditional Name: 2-[4-[1-ethyl-2-(4-methoxyphenyl)but-1-enyl]phenoxy]ethyl-trimethyl-ammonium iodide Formula: C24H34INO2 MolecularWeight: 495.43673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(CC)C1=CC=C(C=C1)OCC[N+](C)(C)C)C2=CC=C(C=C2)OC.[I-]

Isomeric SMILES

CCC(=C(CC)C1=CC=C(C=C1)OCC[N+](C)(C)C)C2=CC=C(C=C2)OC.[I-]

InChI

InChI=1S/C24H34NO2.HI/c1-7-23(19-9-13-21(26-6)14-10-19)24(8-2)20-11-15-22(16-12-20)27-18-17-25(3,4)5;/h9-16H,7-8,17-18H2,1-6H3;1H/q+1;/p-1