(2S)-2-azaniumyl-4-(3,4-dimethylphenoxy)butanoate

Systemtic Name: (2S)-2-azaniumyl-4-(3,4-dimethylphenoxy)butanoate Openeye Name: (2S)-2-azaniumyl-4-(3,4-dimethylphenoxy)butanoate CAS Name: (2S)-2-ammonio-4-(3,4-dimethylphenoxy)butanoate IUPAC Name: (2S)-2-azaniumyl-4-(3,4-dimethylphenoxy)butanoate Traditional Name: (2S)-2-ammonio-4-(3,4-dimethylphenoxy)butyrate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCC(C(=O)[O-])[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC[C@@H](C(=O)[O-])[NH3+])C

InChI

InChI=1S/C12H17NO3/c1-8-3-4-10(7-9(8)2)16-6-5-11(13)12(14)15/h3-4,7,11H,5-6,13H2,1-2H3,(H,14,15)/t11-/m0/s1