[(3S)-1-[(5-cyano-2-fluoranyl-phenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]azanium chloride

Systemtic Name: [(3S)-1-[(5-cyano-2-fluoranyl-phenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]azanium chloride Openeye Name: [(3S)-1-[(5-cyano-2-fluoro-phenyl)methyl]-2-oxo-pyrrolidin-3-yl]ammonium chloride CAS Name: [(3S)-1-[(5-cyano-2-fluorophenyl)methyl]-2-oxo-3-pyrrolidinyl]ammonium chloride IUPAC Name: [(3S)-1-[(5-cyano-2-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride Traditional Name: [(3S)-1-(5-cyano-2-fluoro-benzyl)-2-keto-pyrrolidin-3-yl]ammonium chloride Formula: C12H13ClFN3O MolecularWeight: 269.702523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1[NH3+])CC2=C(C=CC(=C2)C#N)F.[Cl-]

Isomeric SMILES

C1CN(C(=O)[C@H]1[NH3+])CC2=C(C=CC(=C2)C#N)F.[Cl-]

InChI

InChI=1S/C12H12FN3O.ClH/c13-10-2-1-8(6-14)5-9(10)7-16-4-3-11(15)12(16)17;/h1-2,5,11H,3-4,7,15H2;1H/t11-;/m0./s1