4-(4-chlorophenyl)butyl-methyl-dipentyl-azanium bromide

Systemtic Name: 4-(4-chlorophenyl)butyl-methyl-dipentyl-azanium bromide Openeye Name: 4-(4-chlorophenyl)butyl-methyl-dipentyl-ammonium bromide CAS Name: 4-(4-chlorophenyl)butyl-methyl-dipentylammonium bromide IUPAC Name: 4-(4-chlorophenyl)butyl-methyl-dipentylazanium bromide Traditional Name: diamyl-[4-(4-chlorophenyl)butyl]-methyl-ammonium bromide Formula: C21H37BrClN MolecularWeight: 418.88218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](C)(CCCCC)CCCCC1=CC=C(C=C1)Cl.[Br-]

Isomeric SMILES

CCCCC[N+](C)(CCCCC)CCCCC1=CC=C(C=C1)Cl.[Br-]

InChI

InChI=1S/C21H37ClN.BrH/c1-4-6-9-17-23(3,18-10-7-5-2)19-11-8-12-20-13-15-21(22)16-14-20;/h13-16H,4-12,17-19H2,1-3H3;1H/q+1;/p-1