2-(2-bromanyl-4-fluoranyl-phenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4-fluoranyl-phenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2-bromo-4-fluorophenoxy)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-bromo-4-fluorophenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C20H23BrFN2O2+ MolecularWeight: 422.311223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)COC3=C(C=C(C=C3)F)Br

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)COC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C20H22BrFN2O2/c21-18-11-17(22)7-8-19(18)26-14-20(25)23-12-15-5-1-2-6-16(15)13-24-9-3-4-10-24/h1-2,5-8,11H,3-4,9-10,12-14H2,(H,23,25)/p+1