(3S)-3-azaniumyl-3-(4-tert-butylphenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(4-tert-butylphenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(4-tert-butylphenyl)propanoate CAS Name: (3S)-3-ammonio-3-(4-tert-butylphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(4-tert-butylphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(4-tert-butylphenyl)propionate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)11(14)8-12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1