1-benzofuran-2-ylmethyl-diethyl-[8-[ethyl(dimethyl)azaniumyl]octyl]azanium diiodide

Systemtic Name: 1-benzofuran-2-ylmethyl-diethyl-[8-[ethyl(dimethyl)azaniumyl]octyl]azanium diiodide Openeye Name: benzofuran-2-ylmethyl-diethyl-[8-[ethyl(dimethyl)ammonio]octyl]ammonium diiodide CAS Name: 2-benzofuranylmethyl-diethyl-[8-[ethyl(dimethyl)ammonio]octyl]ammonium diiodide IUPAC Name: 1-benzofuran-2-ylmethyl-diethyl-[8-[ethyl(dimethyl)azaniumyl]octyl]azanium diiodide Traditional Name: benzofuran-2-ylmethyl-diethyl-[8-[ethyl(dimethyl)ammonio]octyl]ammonium diiodide Formula: C25H44I2N2O MolecularWeight: 642.4386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44N2O.2HI/c1-6-26(4,5)19-15-11-9-10-12-16-20-27(7-2,8-3)22-24-21-23-17-13-14-18-25(23)28-24;;/h13-14,17-18,21H,6-12,15-16,19-20,22H2,1-5H3;2*1H/q+2;;/p-2