1-methyl-1-[6-(1-methylazepan-1-ium-1-yl)hexyl]azepan-1-ium bromide

Systemtic Name: 1-methyl-1-[6-(1-methylazepan-1-ium-1-yl)hexyl]azepan-1-ium bromide Openeye Name: 1-methyl-1-[6-(1-methylazepan-1-ium-1-yl)hexyl]azepan-1-ium bromide CAS Name: 1-methyl-1-[6-(1-methyl-1-azepan-1-iumyl)hexyl]azepan-1-ium bromide IUPAC Name: 1-methyl-1-[6-(1-methylazepan-1-ium-1-yl)hexyl]azepan-1-ium bromide Traditional Name: 1-methyl-1-[6-(1-methylazepan-1-ium-1-yl)hexyl]azepan-1-ium bromide Formula: C20H42BrN2+ MolecularWeight: 390.46488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H42N2.BrH/c1-21(15-9-3-4-10-16-21)19-13-7-8-14-20-22(2)17-11-5-6-12-18-22;/h3-20H2,1-2H3;1H/q+2;/p-1