1-benzofuran-2-ylmethyl-diethyl-[6-[ethyl(dimethyl)azaniumyl]hexyl]azanium diiodide

Systemtic Name: 1-benzofuran-2-ylmethyl-diethyl-[6-[ethyl(dimethyl)azaniumyl]hexyl]azanium diiodide Openeye Name: benzofuran-2-ylmethyl-diethyl-[6-[ethyl(dimethyl)ammonio]hexyl]ammonium diiodide CAS Name: 2-benzofuranylmethyl-diethyl-[6-[ethyl(dimethyl)ammonio]hexyl]ammonium diiodide IUPAC Name: 1-benzofuran-2-ylmethyl-diethyl-[6-[ethyl(dimethyl)azaniumyl]hexyl]azanium diiodide Traditional Name: benzofuran-2-ylmethyl-diethyl-[6-[ethyl(dimethyl)ammonio]hexyl]ammonium diiodide Formula: C23H40I2N2O MolecularWeight: 614.38544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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