(2S,3R)-6-oxidanylidene-1-propyl-2-pyridin-4-yl-piperidine-3-carboxylate

Systemtic Name: (2S,3R)-6-oxidanylidene-1-propyl-2-pyridin-4-yl-piperidine-3-carboxylate Openeye Name: (2S,3R)-6-oxo-1-propyl-2-(4-pyridyl)piperidine-3-carboxylate CAS Name: (2S,3R)-6-oxo-1-propyl-2-pyridin-4-yl-3-piperidinecarboxylate IUPAC Name: (2S,3R)-6-oxo-1-propyl-2-pyridin-4-ylpiperidine-3-carboxylate Traditional Name: (2S,3R)-6-keto-1-propyl-2-(4-pyridyl)nipecotate Formula: C14H17N2O3- MolecularWeight: 261.29638

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(CCC1=O)C(=O)[O-])C2=CC=NC=C2

Isomeric SMILES

CCCN1[C@@H]([C@@H](CCC1=O)C(=O)[O-])C2=CC=NC=C2

InChI

InChI=1S/C14H18N2O3/c1-2-9-16-12(17)4-3-11(14(18)19)13(16)10-5-7-15-8-6-10/h5-8,11,13H,2-4,9H2,1H3,(H,18,19)/p-1/t11-,13-/m1/s1