1-[2-(2-bromanylphenoxy)propan-2-yl]-5-phenethyl-pyridin-1-ium-2-amine chloride

Systemtic Name: 1-[2-(2-bromanylphenoxy)propan-2-yl]-5-phenethyl-pyridin-1-ium-2-amine chloride Openeye Name: 1-[1-(2-bromophenoxy)-1-methyl-ethyl]-5-phenethyl-pyridin-1-ium-2-amine chloride CAS Name: 1-[2-(2-bromophenoxy)propan-2-yl]-5-phenethyl-2-pyridin-1-iumamine chloride IUPAC Name: 1-[2-(2-bromophenoxy)propan-2-yl]-5-phenethylpyridin-1-ium-2-amine chloride Traditional Name: [1-[1-(2-bromophenoxy)-1-methyl-ethyl]-5-phenethyl-pyridin-1-ium-2-yl]amine chloride Formula: C22H24BrClN2O MolecularWeight: 447.79576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)([N+]1=C(C=CC(=C1)CCC2=CC=CC=C2)N)OC3=CC=CC=C3Br.[Cl-]

Isomeric SMILES

CC(C)([N+]1=C(C=CC(=C1)CCC2=CC=CC=C2)N)OC3=CC=CC=C3Br.[Cl-]

InChI

InChI=1S/C22H23BrN2O.ClH/c1-22(2,26-20-11-7-6-10-19(20)23)25-16-18(14-15-21(25)24)13-12-17-8-4-3-5-9-17;/h3-11,14-16,24H,12-13H2,1-2H3;1H