(2S)-2-azaniumyl-2-(2,5-dimethylphenyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-2-(2,5-dimethylphenyl)propanoate Openeye Name: (2S)-2-azaniumyl-2-(2,5-dimethylphenyl)propanoate CAS Name: (2S)-2-ammonio-2-(2,5-dimethylphenyl)propanoate IUPAC Name: (2S)-2-azaniumyl-2-(2,5-dimethylphenyl)propanoate Traditional Name: (2S)-2-ammonio-2-(2,5-dimethylphenyl)propionate Formula: C11H15NO2 MolecularWeight: 193.2423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO2/c1-7-4-5-8(2)9(6-7)11(3,12)10(13)14/h4-6H,12H2,1-3H3,(H,13,14)/t11-/m0/s1