(3S)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-oxo-2-(1-piperidyl)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-(1-piperidinyl)ethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2-keto-2-piperidino-ethyl)piperidin-1-ium-3-carboxylate Formula: C13H22N2O3 MolecularWeight: 254.32538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C13H22N2O3/c16-12(15-7-2-1-3-8-15)10-14-6-4-5-11(9-14)13(17)18/h11H,1-10H2,(H,17,18)/t11-/m0/s1