1-(4-cyano-1-methyl-piperidin-1-ium-4-yl)piperidine-4-carboxylate

Systemtic Name: 1-(4-cyano-1-methyl-piperidin-1-ium-4-yl)piperidine-4-carboxylate Openeye Name: 1-(4-cyano-1-methyl-piperidin-1-ium-4-yl)piperidine-4-carboxylate CAS Name: 1-(4-cyano-1-methyl-4-piperidin-1-iumyl)-4-piperidinecarboxylate IUPAC Name: 1-(4-cyano-1-methylpiperidin-1-ium-4-yl)piperidine-4-carboxylate Traditional Name: 1-(4-cyano-1-methyl-piperidin-1-ium-4-yl)isonipecotate Formula: C13H21N3O2 MolecularWeight: 251.32474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C#N)N2CCC(CC2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)(C#N)N2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C13H21N3O2/c1-15-8-4-13(10-14,5-9-15)16-6-2-11(3-7-16)12(17)18/h11H,2-9H2,1H3,(H,17,18)