(2S,3R)-1-(2-dimethylaminoethyl)-6-oxidanylidene-2-pyridin-4-yl-piperidine-3-carboxylic acid

Systemtic Name: (2S,3R)-1-(2-dimethylaminoethyl)-6-oxidanylidene-2-pyridin-4-yl-piperidine-3-carboxylic acid Openeye Name: (2S,3R)-1-(2-dimethylaminoethyl)-6-oxo-2-(4-pyridyl)piperidine-3-carboxylic acid CAS Name: (2S,3R)-1-(2-dimethylaminoethyl)-6-oxo-2-pyridin-4-yl-3-piperidinecarboxylic acid IUPAC Name: (2S,3R)-1-(2-dimethylaminoethyl)-6-oxo-2-pyridin-4-ylpiperidine-3-carboxylic acid Traditional Name: (2S,3R)-1-(2-dimethylaminoethyl)-6-keto-2-(4-pyridyl)nipecotic acid Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(C(CCC1=O)C(=O)O)C2=CC=NC=C2

Isomeric SMILES

CN(C)CCN1[C@@H]([C@@H](CCC1=O)C(=O)O)C2=CC=NC=C2

InChI

InChI=1S/C15H21N3O3/c1-17(2)9-10-18-13(19)4-3-12(15(20)21)14(18)11-5-7-16-8-6-11/h5-8,12,14H,3-4,9-10H2,1-2H3,(H,20,21)/t12-,14-/m1/s1