N-[2-[5-chloranyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]-2-cyano-ethanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=C(C=C(C=C2)Cl)CCNC(=O)CC#N

Isomeric SMILES

C1CC[NH+](C1)CCOC2=C(C=C(C=C2)Cl)CCNC(=O)CC#N

InChI

InChI=1S/C17H22ClN3O2/c18-15-3-4-16(23-12-11-21-9-1-2-10-21)14(13-15)6-8-20-17(22)5-7-19/h3-4,13H,1-2,5-6,8-12H2,(H,20,22)/p+1