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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH+](CCC#N)CC1=CN=CC=C1

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH+](CCC#N)CC1=CN=CC=C1

InChI

InChI=1S/C12H15N3O2/c1-10(12(16)17)15(7-3-5-13)9-11-4-2-6-14-8-11/h2,4,6,8,10H,3,7,9H2,1H3,(H,16,17)/t10-/m0/s1