(2R)-2-(azaniumylmethyl)-3-(3,5-dimethylphenyl)propanoate

Systemtic Name: (2R)-2-(azaniumylmethyl)-3-(3,5-dimethylphenyl)propanoate Openeye Name: (2R)-2-(azaniumylmethyl)-3-(3,5-dimethylphenyl)propanoate CAS Name: (2R)-2-(ammoniomethyl)-3-(3,5-dimethylphenyl)propanoate IUPAC Name: (2R)-2-(azaniumylmethyl)-3-(3,5-dimethylphenyl)propanoate Traditional Name: (2R)-2-(ammoniomethyl)-3-(3,5-dimethylphenyl)propionate Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2/c1-8-3-9(2)5-10(4-8)6-11(7-13)12(14)15/h3-5,11H,6-7,13H2,1-2H3,(H,14,15)/t11-/m1/s1