1-[(S)-cyano(pyridin-4-yl)methyl]piperidine-4-carboxylate

Systemtic Name: 1-[(S)-cyano(pyridin-4-yl)methyl]piperidine-4-carboxylate Openeye Name: 1-[(S)-cyano(4-pyridyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(S)-cyano(pyridin-4-yl)methyl]-4-piperidinecarboxylate IUPAC Name: 1-[(S)-cyano(pyridin-4-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(S)-cyano(4-pyridyl)methyl]isonipecotate Formula: C13H14N3O2- MolecularWeight: 244.26916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C(C#N)C2=CC=NC=C2

Isomeric SMILES

C1CN(CCC1C(=O)[O-])[C@H](C#N)C2=CC=NC=C2

InChI

InChI=1S/C13H15N3O2/c14-9-12(10-1-5-15-6-2-10)16-7-3-11(4-8-16)13(17)18/h1-2,5-6,11-12H,3-4,7-8H2,(H,17,18)/p-1/t12-/m1/s1