(2R)-2-(tert-butylazaniumyl)-2-(3,5-dimethyl-4-oxidanyl-phenyl)ethanoate

Systemtic Name: (2R)-2-(tert-butylazaniumyl)-2-(3,5-dimethyl-4-oxidanyl-phenyl)ethanoate Openeye Name: (2R)-2-(tert-butylammonio)-2-(4-hydroxy-3,5-dimethyl-phenyl)acetate CAS Name: (2R)-2-(tert-butylammonio)-2-(4-hydroxy-3,5-dimethylphenyl)acetate IUPAC Name: (2R)-2-(tert-butylazaniumyl)-2-(4-hydroxy-3,5-dimethylphenyl)acetate Traditional Name: (2R)-2-(tert-butylammonio)-2-(4-hydroxy-3,5-dimethyl-phenyl)acetate Formula: C14H21NO3 MolecularWeight: 251.32144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C(C(=O)[O-])[NH2+]C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[C@H](C(=O)[O-])[NH2+]C(C)(C)C

InChI

InChI=1S/C14H21NO3/c1-8-6-10(7-9(2)12(8)16)11(13(17)18)15-14(3,4)5/h6-7,11,15-16H,1-5H3,(H,17,18)/t11-/m1/s1