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

Systemtic Name: 2-(2-chloranyl-4-fluoranyl-phenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2-chloro-4-fluoro-phenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2-chloro-4-fluorophenoxy)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-chloro-4-fluorophenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(2-chloro-4-fluoro-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C21H25ClFN2O2+ MolecularWeight: 391.886803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)COC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)COC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H24ClFN2O2/c22-19-12-18(23)8-9-20(19)27-15-21(26)24-13-16-4-6-17(7-5-16)14-25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13-15H2,(H,24,26)/p+1