butyl-[2-[(4-chlorophenyl)methyl-pyridin-2-yl-amino]ethyl]-dimethyl-azanium bromide

Systemtic Name: butyl-[2-[(4-chlorophenyl)methyl-pyridin-2-yl-amino]ethyl]-dimethyl-azanium bromide Openeye Name: butyl-[2-[(4-chlorophenyl)methyl-(2-pyridyl)amino]ethyl]-dimethyl-ammonium bromide CAS Name: butyl-[2-[(4-chlorophenyl)methyl-(2-pyridinyl)amino]ethyl]-dimethylammonium bromide IUPAC Name: butyl-[2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]ethyl]-dimethylazanium bromide Traditional Name: butyl-[2-[(4-chlorobenzyl)-(2-pyridyl)amino]ethyl]-dimethyl-ammonium bromide Formula: C20H29BrClN3 MolecularWeight: 426.82136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=N2.[Br-]

Isomeric SMILES

CCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=N2.[Br-]

InChI

InChI=1S/C20H29ClN3.BrH/c1-4-5-15-24(2,3)16-14-23(20-8-6-7-13-22-20)17-18-9-11-19(21)12-10-18;/h6-13H,4-5,14-17H2,1-3H3;1H/q+1;/p-1