1-[(S)-cyano(pyridin-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(S)-cyano(pyridin-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(S)-cyano(2-pyridyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(S)-cyano(2-pyridinyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(S)-cyano(pyridin-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(S)-cyano(2-pyridyl)methyl]piperidin-1-ium-4-carboxylate Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])C(C#N)C2=CC=CC=N2

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])[C@H](C#N)C2=CC=CC=N2

InChI

InChI=1S/C13H15N3O2/c14-9-12(11-3-1-2-6-15-11)16-7-4-10(5-8-16)13(17)18/h1-3,6,10,12H,4-5,7-8H2,(H,17,18)/t12-/m1/s1