N-[2-(cyanomethylsulfanyl)phenyl]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C14H18N3OS+ MolecularWeight: 276.37722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

C1CC[NH+](C1)CC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C14H17N3OS/c15-7-10-19-13-6-2-1-5-12(13)16-14(18)11-17-8-3-4-9-17/h1-2,5-6H,3-4,8-11H2,(H,16,18)/p+1