(2R)-2-(2-cyanoethylazaniumyl)-3-phenyl-propanoate

Systemtic Name: (2R)-2-(2-cyanoethylazaniumyl)-3-phenyl-propanoate Openeye Name: (2R)-2-(2-cyanoethylammonio)-3-phenyl-propanoate CAS Name: (2R)-2-(2-cyanoethylammonio)-3-phenylpropanoate IUPAC Name: (2R)-2-(2-cyanoethylazaniumyl)-3-phenylpropanoate Traditional Name: (2R)-2-(2-cyanoethylammonio)-3-phenyl-propionate Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])[NH2+]CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)[O-])[NH2+]CCC#N

InChI

InChI=1S/C12H14N2O2/c13-7-4-8-14-11(12(15)16)9-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,8-9H2,(H,15,16)/t11-/m1/s1