1-benzofuran-2-ylmethyl-ethyl-methyl-[9-(triethylazaniumyl)nonyl]azanium diiodide

Systemtic Name: 1-benzofuran-2-ylmethyl-ethyl-methyl-[9-(triethylazaniumyl)nonyl]azanium diiodide Openeye Name: benzofuran-2-ylmethyl-ethyl-methyl-[9-(triethylammonio)nonyl]ammonium diiodide CAS Name: 2-benzofuranylmethyl-ethyl-methyl-[9-(triethylammonio)nonyl]ammonium diiodide IUPAC Name: 1-benzofuran-2-ylmethyl-ethyl-methyl-[9-(triethylazaniumyl)nonyl]azanium diiodide Traditional Name: benzofuran-2-ylmethyl-ethyl-methyl-[9-(triethylammonio)nonyl]ammonium diiodide Formula: C27H48I2N2O MolecularWeight: 670.49176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48N2O.2HI/c1-6-28(5,24-26-23-25-19-15-16-20-27(25)30-26)21-17-13-11-10-12-14-18-22-29(7-2,8-3)9-4;;/h15-16,19-20,23H,6-14,17-18,21-22,24H2,1-5H3;2*1H/q+2;;/p-2