2-[2-cyanoethyl(pyridin-3-ylmethyl)azaniumyl]ethanoate

Systemtic Name: 2-[2-cyanoethyl(pyridin-3-ylmethyl)azaniumyl]ethanoate Openeye Name: 2-[2-cyanoethyl(3-pyridylmethyl)ammonio]acetate CAS Name: 2-[2-cyanoethyl(3-pyridinylmethyl)ammonio]acetate IUPAC Name: 2-[2-cyanoethyl(pyridin-3-ylmethyl)azaniumyl]acetate Traditional Name: 2-[2-cyanoethyl(3-pyridylmethyl)ammonio]acetate Formula: C11H13N3O2 MolecularWeight: 219.23982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O2/c12-4-2-6-14(9-11(15)16)8-10-3-1-5-13-7-10/h1,3,5,7H,2,6,8-9H2,(H,15,16)