1-methyl-1-[3-(1-methylazepan-1-ium-1-yl)propyl]azepan-1-ium bromide

Systemtic Name: 1-methyl-1-[3-(1-methylazepan-1-ium-1-yl)propyl]azepan-1-ium bromide Openeye Name: 1-methyl-1-[3-(1-methylazepan-1-ium-1-yl)propyl]azepan-1-ium bromide CAS Name: 1-methyl-1-[3-(1-methyl-1-azepan-1-iumyl)propyl]azepan-1-ium bromide IUPAC Name: 1-methyl-1-[3-(1-methylazepan-1-ium-1-yl)propyl]azepan-1-ium bromide Traditional Name: 1-methyl-1-[3-(1-methylazepan-1-ium-1-yl)propyl]azepan-1-ium bromide Formula: C17H36BrN2+ MolecularWeight: 348.38514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H36N2.BrH/c1-18(12-7-3-4-8-13-18)16-11-17-19(2)14-9-5-6-10-15-19;/h3-17H2,1-2H3;1H/q+2;/p-1