(alphaS)-alpha-Carboxy-4-Hydroxy-N,N,N-Trimethyl-Benzeneethanaminium Inner Salt
[CAS# 69168-08-7]

Identification

• Name: (alphaS)-alpha-Carboxy-4-Hydroxy-N,N,N-Trimethyl-Benzeneethanaminium Inner Salt
• Synonyms: 5-Hydroxy-2-(2-Trimethylammonioethyl)Benzoate; (S)-Alpha-Carboxy-4-Hydroxy-N,N,N-Trimethylbenzeneethanaminium, Hydroxide, Inner Salt; Tyrosine Betaine
• Molecular Formula: C₁₂H₁₇NO₃
• Molecular Weight: 223.27
• CAS Registry Number: 69168-08-7
• SMILES: C1=C(C(=CC=C1O)CC[N+](C)(C)C)C(=O)[O-]
• InChI: 1S/C12H17NO3/c1-13(2,3)7-6-9-4-5-10(14)8-11(9)12(15)16/h4-5,8H,6-7H2,1-3H3,(H-,14,15,16)
• InChIKey: HTCQNXQVACMNDD-UHFFFAOYSA-N