1-methyl-1-[8-(1-methylazepan-1-ium-1-yl)octyl]azepan-1-ium bromide

Systemtic Name: 1-methyl-1-[8-(1-methylazepan-1-ium-1-yl)octyl]azepan-1-ium bromide Openeye Name: 1-methyl-1-[8-(1-methylazepan-1-ium-1-yl)octyl]azepan-1-ium bromide CAS Name: 1-methyl-1-[8-(1-methyl-1-azepan-1-iumyl)octyl]azepan-1-ium bromide IUPAC Name: 1-methyl-1-[8-(1-methylazepan-1-ium-1-yl)octyl]azepan-1-ium bromide Traditional Name: 1-methyl-1-[8-(1-methylazepan-1-ium-1-yl)octyl]azepan-1-ium bromide Formula: C22H46BrN2+ MolecularWeight: 418.51804

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CCCCCCCC[N+]2(CCCCCC2)C.[Br-]

Isomeric SMILES

C[N+]1(CCCCCC1)CCCCCCCC[N+]2(CCCCCC2)C.[Br-]

InChI

InChI=1S/C22H46N2.BrH/c1-23(19-13-7-8-14-20-23)17-11-5-3-4-6-12-18-24(2)21-15-9-10-16-22-24;/h3-22H2,1-2H3;1H/q+2;/p-1