1-methyl-1-[10-(1-methylazepan-1-ium-1-yl)decyl]azepan-1-ium bromide

Systemtic Name: 1-methyl-1-[10-(1-methylazepan-1-ium-1-yl)decyl]azepan-1-ium bromide Openeye Name: 1-methyl-1-[10-(1-methylazepan-1-ium-1-yl)decyl]azepan-1-ium bromide CAS Name: 1-methyl-1-[10-(1-methyl-1-azepan-1-iumyl)decyl]azepan-1-ium bromide IUPAC Name: 1-methyl-1-[10-(1-methylazepan-1-ium-1-yl)decyl]azepan-1-ium bromide Traditional Name: 1-methyl-1-[10-(1-methylazepan-1-ium-1-yl)decyl]azepan-1-ium bromide Formula: C24H50BrN2+ MolecularWeight: 446.5712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H50N2.BrH/c1-25(21-15-9-10-16-22-25)19-13-7-5-3-4-6-8-14-20-26(2)23-17-11-12-18-24-26;/h3-24H2,1-2H3;1H/q+2;/p-1