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

Systemtic Name: 2-[4-[(2-butyl-2,3-dihydro-1-benzofuran-3-yl)carbonyl]-2,6-bis(iodanyl)phenoxy]ethyl-diethyl-azanium Openeye Name: 2-[4-(2-butyl-2,3-dihydrobenzofuran-3-carbonyl)-2,6-diiodo-phenoxy]ethyl-diethyl-ammonium CAS Name: 2-[4-[(2-butyl-2,3-dihydrobenzofuran-3-yl)-oxomethyl]-2,6-diiodophenoxy]ethyl-diethylammonium IUPAC Name: 2-[4-(2-butyl-2,3-dihydro-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl-diethylazanium Traditional Name: 2-[4-(2-butylcoumaran-3-carbonyl)-2,6-diiodo-phenoxy]ethyl-diethyl-ammonium Formula: C25H32I2NO3+ MolecularWeight: 648.33542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC[NH+](CC)CC)I

Isomeric SMILES

CCCCC1C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC[NH+](CC)CC)I

InChI

InChI=1S/C25H31I2NO3/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/h8-10,12,15-16,22-23H,4-7,11,13-14H2,1-3H3/p+1