(3S)-3-azaniumyl-4-(2-cyanophenyl)butanoate

Systemtic Name: (3S)-3-azaniumyl-4-(2-cyanophenyl)butanoate Openeye Name: (3S)-3-azaniumyl-4-(2-cyanophenyl)butanoate CAS Name: (3S)-3-ammonio-4-(2-cyanophenyl)butanoate IUPAC Name: (3S)-3-azaniumyl-4-(2-cyanophenyl)butanoate Traditional Name: (3S)-3-ammonio-4-(2-cyanophenyl)butyrate Formula: C11H12N2O2 MolecularWeight: 204.22518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(CC(=O)[O-])[NH3+])C#N

Isomeric SMILES

C1=CC=C(C(=C1)C[C@@H](CC(=O)[O-])[NH3+])C#N

InChI

InChI=1S/C11H12N2O2/c12-7-9-4-2-1-3-8(9)5-10(13)6-11(14)15/h1-4,10H,5-6,13H2,(H,14,15)/t10-/m0/s1