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

Systemtic Name: 3-[2-cyanoethyl(pyridin-3-ylmethyl)azaniumyl]propanoate Openeye Name: 3-[2-cyanoethyl(3-pyridylmethyl)ammonio]propanoate CAS Name: 3-[2-cyanoethyl(3-pyridinylmethyl)ammonio]propanoate IUPAC Name: 3-[2-cyanoethyl(pyridin-3-ylmethyl)azaniumyl]propanoate Traditional Name: 3-[2-cyanoethyl(3-pyridylmethyl)ammonio]propionate Formula: C12H15N3O2 MolecularWeight: 233.2664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2/c13-5-2-7-15(8-4-12(16)17)10-11-3-1-6-14-9-11/h1,3,6,9H,2,4,7-8,10H2,(H,16,17)