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

Systemtic Name: N-[[5-chloranyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-2-cyano-ethanamide Openeye Name: N-[[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-2-cyano-acetamide CAS Name: N-[[5-chloro-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methyl]-2-cyanoacetamide IUPAC Name: N-[[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-2-cyanoacetamide Traditional Name: N-[5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]-2-cyano-acetamide Formula: C16H21ClN3O2+ MolecularWeight: 322.80984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O2/c17-14-3-4-15(22-10-9-20-7-1-2-8-20)13(11-14)12-19-16(21)5-6-18/h3-4,11H,1-2,5,7-10,12H2,(H,19,21)/p+1