(2S,3R)-1-[2-(dimethylazaniumyl)ethyl]-6-oxidanylidene-2-pyridin-3-yl-piperidine-3-carboxylate

Systemtic Name: (2S,3R)-1-[2-(dimethylazaniumyl)ethyl]-6-oxidanylidene-2-pyridin-3-yl-piperidine-3-carboxylate Openeye Name: (2S,3R)-1-[2-(dimethylammonio)ethyl]-6-oxo-2-(3-pyridyl)piperidine-3-carboxylate CAS Name: (2S,3R)-1-[2-(dimethylammonio)ethyl]-6-oxo-2-(3-pyridinyl)-3-piperidinecarboxylate IUPAC Name: (2S,3R)-1-[2-(dimethylazaniumyl)ethyl]-6-oxo-2-pyridin-3-ylpiperidine-3-carboxylate Traditional Name: (2S,3R)-1-[2-(dimethylammonio)ethyl]-6-keto-2-(3-pyridyl)nipecotate Formula: C15H21N3O3 MolecularWeight: 291.34554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(CCC1=O)C(=O)[O-])C2=CN=CC=C2

Isomeric SMILES

C[NH+](C)CCN1[C@@H]([C@@H](CCC1=O)C(=O)[O-])C2=CN=CC=C2

InChI

InChI=1S/C15H21N3O3/c1-17(2)8-9-18-13(19)6-5-12(15(20)21)14(18)11-4-3-7-16-10-11/h3-4,7,10,12,14H,5-6,8-9H2,1-2H3,(H,20,21)/t12-,14-/m1/s1