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

Systemtic Name: [(3S)-1-[(5-cyano-2-oxidanyl-phenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]azanium chloride Openeye Name: [(3S)-1-[(5-cyano-2-hydroxy-phenyl)methyl]-2-oxo-pyrrolidin-3-yl]ammonium chloride CAS Name: [(3S)-1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxo-3-pyrrolidinyl]ammonium chloride IUPAC Name: [(3S)-1-[(5-cyano-2-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]azanium chloride Traditional Name: [(3S)-1-(5-cyano-2-hydroxy-benzyl)-2-keto-pyrrolidin-3-yl]ammonium chloride Formula: C12H14ClN3O2 MolecularWeight: 267.71146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2.ClH/c13-6-8-1-2-11(16)9(5-8)7-15-4-3-10(14)12(15)17;/h1-2,5,10,16H,3-4,7,14H2;1H/t10-;/m0./s1