N-[[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-2-cyano-ethanamide

Systemtic Name: N-[[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-2-cyano-ethanamide Openeye Name: N-[[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-2-cyano-acetamide CAS Name: N-[[5-chloro-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methyl]-2-cyanoacetamide IUPAC Name: N-[[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-2-cyanoacetamide Traditional Name: N-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)benzyl]-2-cyano-acetamide Formula: C17H23ClN3O2+ MolecularWeight: 336.83642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)CNC(=O)CC#N

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)CNC(=O)CC#N

InChI

InChI=1S/C17H22ClN3O2/c18-15-4-5-16(14(12-15)13-20-17(22)6-7-19)23-11-10-21-8-2-1-3-9-21/h4-5,12H,1-3,6,8-11,13H2,(H,20,22)/p+1