2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-(methylamino)-(phenylcarbonyl)-propyl-azanium

Systemtic Name: 2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-(methylamino)-(phenylcarbonyl)-propyl-azanium Openeye Name: benzoyl-[2-(2-benzyloxy-5-bromo-phenyl)ethyl]-(methylamino)-propyl-ammonium CAS Name: benzoyl-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-(methylamino)-propylammonium IUPAC Name: benzoyl-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-(methylamino)-propylazanium Traditional Name: 2-(2-benzoxy-5-bromo-phenyl)ethyl-benzoyl-(methylamino)-propyl-ammonium Formula: C26H30BrN2O2+ MolecularWeight: 482.4326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)(C(=O)C3=CC=CC=C3)NC

Isomeric SMILES

CCC[N+](CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)(C(=O)C3=CC=CC=C3)NC

InChI

InChI=1S/C26H30BrN2O2/c1-3-17-29(28-2,26(30)22-12-8-5-9-13-22)18-16-23-19-24(27)14-15-25(23)31-20-21-10-6-4-7-11-21/h4-15,19,28H,3,16-18,20H2,1-2H3/q+1