(4R)-4-azaniumyl-4-(2,5-dimethylphenyl)butanoate

Systemtic Name: (4R)-4-azaniumyl-4-(2,5-dimethylphenyl)butanoate Openeye Name: (4R)-4-azaniumyl-4-(2,5-dimethylphenyl)butanoate CAS Name: (4R)-4-ammonio-4-(2,5-dimethylphenyl)butanoate IUPAC Name: (4R)-4-azaniumyl-4-(2,5-dimethylphenyl)butanoate Traditional Name: (4R)-4-ammonio-4-(2,5-dimethylphenyl)butyrate Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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