N-[[5-chloranyl-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]methyl]-2-cyano-ethanamide

Systemtic Name: N-[[5-chloranyl-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]methyl]-2-cyano-ethanamide Openeye Name: N-[[5-chloro-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]methyl]-2-cyano-acetamide CAS Name: N-[[5-chloro-2-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]methyl]-2-cyanoacetamide IUPAC Name: N-[[5-chloro-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]methyl]-2-cyanoacetamide Traditional Name: N-[5-chloro-2-(2-morpholin-4-ium-4-ylethoxy)benzyl]-2-cyano-acetamide Formula: C16H21ClN3O3+ MolecularWeight: 338.80924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC2=C(C=C(C=C2)Cl)CNC(=O)CC#N

Isomeric SMILES

C1COCC[NH+]1CCOC2=C(C=C(C=C2)Cl)CNC(=O)CC#N

InChI

InChI=1S/C16H20ClN3O3/c17-14-1-2-15(13(11-14)12-19-16(21)3-4-18)23-10-7-20-5-8-22-9-6-20/h1-2,11H,3,5-10,12H2,(H,19,21)/p+1