1-benzofuran-2-ylmethyl-ethyl-[7-[ethyl(dimethyl)azaniumyl]heptyl]-methyl-azanium diiodide

Systemtic Name: 1-benzofuran-2-ylmethyl-ethyl-[7-[ethyl(dimethyl)azaniumyl]heptyl]-methyl-azanium diiodide Openeye Name: benzofuran-2-ylmethyl-ethyl-[7-[ethyl(dimethyl)ammonio]heptyl]-methyl-ammonium diiodide CAS Name: 2-benzofuranylmethyl-ethyl-[7-[ethyl(dimethyl)ammonio]heptyl]-methylammonium diiodide IUPAC Name: 1-benzofuran-2-ylmethyl-ethyl-[7-[ethyl(dimethyl)azaniumyl]heptyl]-methylazanium diiodide Traditional Name: benzofuran-2-ylmethyl-ethyl-[7-[ethyl(dimethyl)ammonio]heptyl]-methyl-ammonium diiodide Formula: C23H40I2N2O MolecularWeight: 614.38544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40N2O.2HI/c1-6-24(3,4)17-13-9-8-10-14-18-25(5,7-2)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