(2S,3R)-3-(1-oxidanidylpyridin-1-ium-2-yl)-3-oxidanyl-2-pyrrolidin-1-yl-propanenitrile

Systemtic Name: (2S,3R)-3-(1-oxidanidylpyridin-1-ium-2-yl)-3-oxidanyl-2-pyrrolidin-1-yl-propanenitrile Openeye Name: (2S,3R)-3-hydroxy-3-(1-oxidopyridin-1-ium-2-yl)-2-pyrrolidin-1-yl-propanenitrile CAS Name: (2S,3R)-3-hydroxy-3-(1-oxido-2-pyridin-1-iumyl)-2-(1-pyrrolidinyl)propanenitrile IUPAC Name: (2S,3R)-3-hydroxy-3-(1-oxidopyridin-1-ium-2-yl)-2-pyrrolidin-1-ylpropanenitrile Traditional Name: (2S,3R)-3-hydroxy-3-(1-oxidopyridin-1-ium-2-yl)-2-pyrrolidino-propionitrile Formula: C12H15N3O2 MolecularWeight: 233.2664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C#N)C(C2=CC=CC=[N+]2[O-])O

Isomeric SMILES

C1CCN(C1)[C@@H](C#N)[C@H](C2=CC=CC=[N+]2[O-])O

InChI

InChI=1S/C12H15N3O2/c13-9-11(14-6-3-4-7-14)12(16)10-5-1-2-8-15(10)17/h1-2,5,8,11-12,16H,3-4,6-7H2/t11-,12-/m0/s1