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

Systemtic Name: 1-(4-cyano-1-ethyl-piperidin-1-ium-4-yl)piperidine-4-carboxylate Openeye Name: 1-(4-cyano-1-ethyl-piperidin-1-ium-4-yl)piperidine-4-carboxylate CAS Name: 1-(4-cyano-1-ethyl-4-piperidin-1-iumyl)-4-piperidinecarboxylate IUPAC Name: 1-(4-cyano-1-ethylpiperidin-1-ium-4-yl)piperidine-4-carboxylate Traditional Name: 1-(4-cyano-1-ethyl-piperidin-1-ium-4-yl)isonipecotate Formula: C14H23N3O2 MolecularWeight: 265.35132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O2/c1-2-16-9-5-14(11-15,6-10-16)17-7-3-12(4-8-17)13(18)19/h12H,2-10H2,1H3,(H,18,19)