(2S)-2-azaniumyl-2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: (2S)-2-azaniumyl-2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: (2S)-2-azaniumyl-2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: (2S)-2-ammonio-2-(2-bromo-4,5-dimethoxyphenyl)acetate IUPAC Name: (2S)-2-azaniumyl-2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: (2S)-2-ammonio-2-(2-bromo-4,5-dimethoxy-phenyl)acetate Formula: C10H12BrNO4 MolecularWeight: 290.11058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C(=O)[O-])[NH3+])Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)[C@@H](C(=O)[O-])[NH3+])Br)OC

InChI

InChI=1S/C10H12BrNO4/c1-15-7-3-5(9(12)10(13)14)6(11)4-8(7)16-2/h3-4,9H,12H2,1-2H3,(H,13,14)/t9-/m0/s1