(2S)-2-azaniumyl-3-(3,5-dimethyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(3,5-dimethyl-4-oxidanyl-phenyl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(4-hydroxy-3,5-dimethyl-phenyl)propanoate CAS Name: (2S)-2-ammonio-3-(4-hydroxy-3,5-dimethylphenyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(4-hydroxy-3,5-dimethylphenyl)propanoate Traditional Name: (2S)-2-ammonio-3-(4-hydroxy-3,5-dimethyl-phenyl)propionate Formula: C11H15NO3 MolecularWeight: 209.2417

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H15NO3/c1-6-3-8(4-7(2)10(6)13)5-9(12)11(14)15/h3-4,9,13H,5,12H2,1-2H3,(H,14,15)/t9-/m0/s1