(3S)-3-azaniumyl-3-(3,5-dimethylphenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(3,5-dimethylphenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(3,5-dimethylphenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3,5-dimethylphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3,5-dimethylphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(3,5-dimethylphenyl)propionate Formula: C11H15NO2 MolecularWeight: 193.2423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO2/c1-7-3-8(2)5-9(4-7)10(12)6-11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)/t10-/m0/s1