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

Systemtic Name: 2-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-bis(iodanyl)phenoxy]ethyl-diethyl-methyl-azanium iodide Openeye Name: 2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]ethyl-diethyl-methyl-ammonium iodide CAS Name: 2-[4-[(2-butyl-3-benzofuranyl)-oxomethyl]-2,6-diiodophenoxy]ethyl-diethyl-methylammonium iodide IUPAC Name: 2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl-diethyl-methylazanium iodide Traditional Name: 2-[4-(2-butylbenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]ethyl-diethyl-methyl-ammonium iodide Formula: C26H32I3NO3 MolecularWeight: 787.25059

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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[N+](C)(CC)CC)I.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C26H32I2NO3.HI/c1-5-8-12-23-24(19-11-9-10-13-22(19)32-23)25(30)18-16-20(27)26(21(28)17-18)31-15-14-29(4,6-2)7-3;/h9-11,13,16-17H,5-8,12,14-15H2,1-4H3;1H/q+1;/p-1