1-benzofuran-2-ylmethyl-ethyl-methyl-[5-(triethylazaniumyl)pentyl]azanium; iodanylethane; diiodide

Systemtic Name: 1-benzofuran-2-ylmethyl-ethyl-methyl-[5-(triethylazaniumyl)pentyl]azanium; iodanylethane; diiodide Openeye Name: benzofuran-2-ylmethyl-ethyl-methyl-[5-(triethylammonio)pentyl]ammonium; iodoethane; diiodide CAS Name: 2-benzofuranylmethyl-ethyl-methyl-[5-(triethylammonio)pentyl]ammonium; iodoethane; diiodide IUPAC Name: 1-benzofuran-2-ylmethyl-ethyl-methyl-[5-(triethylazaniumyl)pentyl]azanium; iodoethane; diiodide Traditional Name: benzofuran-2-ylmethyl-ethyl-methyl-[5-(triethylammonio)pentyl]ammonium; iodoethane; diiodide Formula: C27H50I4N2O MolecularWeight: 926.31658

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CCCCC[N+](CC)(CC)CC)CC1=CC2=CC=CC=C2O1.CCI.CCI.[I-].[I-]

Isomeric SMILES

CC[N+](C)(CCCCC[N+](CC)(CC)CC)CC1=CC2=CC=CC=C2O1.CCI.CCI.[I-].[I-]

InChI

InChI=1S/C23H40N2O.2C2H5I.2HI/c1-6-24(5,17-13-10-14-18-25(7-2,8-3)9-4)20-22-19-21-15-11-12-16-23(21)26-22;2*1-2-3;;/h11-12,15-16,19H,6-10,13-14,17-18,20H2,1-5H3;2*2H2,1H3;2*1H/q+2;;;;/p-2