1-methyl-1-[7-(1-methylazepan-1-ium-1-yl)heptyl]azepan-1-ium diiodide

Systemtic Name: 1-methyl-1-[7-(1-methylazepan-1-ium-1-yl)heptyl]azepan-1-ium diiodide Openeye Name: 1-methyl-1-[7-(1-methylazepan-1-ium-1-yl)heptyl]azepan-1-ium diiodide CAS Name: 1-methyl-1-[7-(1-methyl-1-azepan-1-iumyl)heptyl]azepan-1-ium diiodide IUPAC Name: 1-methyl-1-[7-(1-methylazepan-1-ium-1-yl)heptyl]azepan-1-ium diiodide Traditional Name: 1-methyl-1-[7-(1-methylazepan-1-ium-1-yl)heptyl]azepan-1-ium diiodide Formula: C21H44I2N2 MolecularWeight: 578.3964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CCCCCCC[N+]2(CCCCCC2)C.[I-].[I-]

Isomeric SMILES

C[N+]1(CCCCCC1)CCCCCCC[N+]2(CCCCCC2)C.[I-].[I-]

InChI

InChI=1S/C21H44N2.2HI/c1-22(18-12-6-7-13-19-22)16-10-4-3-5-11-17-23(2)20-14-8-9-15-21-23;;/h3-21H2,1-2H3;2*1H/q+2;;/p-2