(2S)-2-azaniumyl-2-(2,4-dimethylphenyl)-2-phenyl-ethanoate

Systemtic Name: (2S)-2-azaniumyl-2-(2,4-dimethylphenyl)-2-phenyl-ethanoate Openeye Name: (2S)-2-azaniumyl-2-(2,4-dimethylphenyl)-2-phenyl-acetate CAS Name: (2S)-2-ammonio-2-(2,4-dimethylphenyl)-2-phenylacetate IUPAC Name: (2S)-2-azaniumyl-2-(2,4-dimethylphenyl)-2-phenylacetate Traditional Name: (2S)-2-ammonio-2-(2,4-dimethylphenyl)-2-phenyl-acetate Formula: C16H17NO2 MolecularWeight: 255.31168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])[NH3+])C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@@](C2=CC=CC=C2)(C(=O)[O-])[NH3+])C

InChI

InChI=1S/C16H17NO2/c1-11-8-9-14(12(2)10-11)16(17,15(18)19)13-6-4-3-5-7-13/h3-10H,17H2,1-2H3,(H,18,19)/t16-/m0/s1