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

Systemtic Name: 2-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-bis(iodanyl)phenoxy]ethyl-diethyl-azanium chloride Openeye Name: 2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]ethyl-diethyl-ammonium chloride CAS Name: 2-[4-[(2-butyl-3-benzofuranyl)-oxomethyl]-2,6-diiodophenoxy]ethyl-diethylammonium chloride IUPAC Name: 2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl-diethylazanium chloride Traditional Name: 2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]ethyl-diethyl-ammonium chloride Formula: C25H30ClI2NO3 MolecularWeight: 681.77254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29I2NO3.ClH/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;1H