5-[2-cyanoethyl(pyridin-3-ylmethyl)azaniumyl]pentanoate

Systemtic Name: 5-[2-cyanoethyl(pyridin-3-ylmethyl)azaniumyl]pentanoate Openeye Name: 5-[2-cyanoethyl(3-pyridylmethyl)ammonio]pentanoate CAS Name: 5-[2-cyanoethyl(3-pyridinylmethyl)ammonio]pentanoate IUPAC Name: 5-[2-cyanoethyl(pyridin-3-ylmethyl)azaniumyl]pentanoate Traditional Name: 5-[2-cyanoethyl(3-pyridylmethyl)ammonio]valerate Formula: C14H19N3O2 MolecularWeight: 261.31956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C[NH+](CCCCC(=O)[O-])CCC#N

Isomeric SMILES

C1=CC(=CN=C1)C[NH+](CCCCC(=O)[O-])CCC#N

InChI

InChI=1S/C14H19N3O2/c15-7-4-10-17(9-2-1-6-14(18)19)12-13-5-3-8-16-11-13/h3,5,8,11H,1-2,4,6,9-10,12H2,(H,18,19)