2-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-bis(iodanyl)phenoxy]ethyl-triethyl-azanium bromide

Systemtic Name: 2-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-bis(iodanyl)phenoxy]ethyl-triethyl-azanium bromide Openeye Name: 2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]ethyl-triethyl-ammonium bromide CAS Name: 2-[4-[(2-butyl-3-benzofuranyl)-oxomethyl]-2,6-diiodophenoxy]ethyl-triethylammonium bromide IUPAC Name: 2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl-triethylazanium bromide Traditional Name: 2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]ethyl-triethyl-ammonium bromide Formula: C27H34BrI2NO3 MolecularWeight: 754.2767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC[N+](CC)(CC)CC)I.[Br-]

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC[N+](CC)(CC)CC)I.[Br-]

InChI

InChI=1S/C27H34I2NO3.BrH/c1-5-9-13-24-25(20-12-10-11-14-23(20)33-24)26(31)19-17-21(28)27(22(29)18-19)32-16-15-30(6-2,7-3)8-4;/h10-12,14,17-18H,5-9,13,15-16H2,1-4H3;1H/q+1;/p-1