1-methyl-1-[[4-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]methyl]azepan-1-ium bromide

Systemtic Name: 1-methyl-1-[[4-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]methyl]azepan-1-ium bromide Openeye Name: 1-methyl-1-[[4-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]methyl]azepan-1-ium bromide CAS Name: 1-methyl-1-[[4-[(1-methyl-1-azepan-1-iumyl)methyl]phenyl]methyl]azepan-1-ium bromide IUPAC Name: 1-methyl-1-[[4-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]methyl]azepan-1-ium bromide Traditional Name: 1-methyl-1-[4-[(1-methylazepan-1-ium-1-yl)methyl]benzyl]azepan-1-ium bromide Formula: C22H38BrN2+ MolecularWeight: 410.45452

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CC2=CC=C(C=C2)C[N+]3(CCCCCC3)C.[Br-]

Isomeric SMILES

C[N+]1(CCCCCC1)CC2=CC=C(C=C2)C[N+]3(CCCCCC3)C.[Br-]

InChI

InChI=1S/C22H38N2.BrH/c1-23(15-7-3-4-8-16-23)19-21-11-13-22(14-12-21)20-24(2)17-9-5-6-10-18-24;/h11-14H,3-10,15-20H2,1-2H3;1H/q+2;/p-1