(2S)-1-(5-methylpyridin-1-ium-2-yl)piperidine-2-carboxylate

Systemtic Name: (2S)-1-(5-methylpyridin-1-ium-2-yl)piperidine-2-carboxylate Openeye Name: (2S)-1-(5-methylpyridin-1-ium-2-yl)piperidine-2-carboxylate CAS Name: (2S)-1-(5-methyl-2-pyridin-1-iumyl)-2-piperidinecarboxylate IUPAC Name: (2S)-1-(5-methylpyridin-1-ium-2-yl)piperidine-2-carboxylate Traditional Name: (2S)-1-(5-methylpyridin-1-ium-2-yl)pipecolinate Formula: C12H16N2O2 MolecularWeight: 220.26764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)N2CCCCC2C(=O)[O-]

Isomeric SMILES

CC1=C[NH+]=C(C=C1)N2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C12H16N2O2/c1-9-5-6-11(13-8-9)14-7-3-2-4-10(14)12(15)16/h5-6,8,10H,2-4,7H2,1H3,(H,15,16)/t10-/m0/s1