2-(3-bromanylphenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(3-bromanylphenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3-bromophenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(3-bromophenoxy)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-bromophenoxy)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(3-bromophenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C20H24BrN2O2+ MolecularWeight: 404.32076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O2/c21-18-4-3-5-19(12-18)25-15-20(24)22-13-16-6-8-17(9-7-16)14-23-10-1-2-11-23/h3-9,12H,1-2,10-11,13-15H2,(H,22,24)/p+1