N-(3-chloranyl-4-cyano-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C13H15ClN3O+ MolecularWeight: 264.7307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C1CC[NH+](C1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C13H14ClN3O/c14-12-7-11(4-3-10(12)8-15)16-13(18)9-17-5-1-2-6-17/h3-4,7H,1-2,5-6,9H2,(H,16,18)/p+1