(2S)-2-azaniumyl-2-(2-bromanyl-5-methoxy-phenyl)ethanoate

Systemtic Name: (2S)-2-azaniumyl-2-(2-bromanyl-5-methoxy-phenyl)ethanoate Openeye Name: (2S)-2-azaniumyl-2-(2-bromo-5-methoxy-phenyl)acetate CAS Name: (2S)-2-ammonio-2-(2-bromo-5-methoxyphenyl)acetate IUPAC Name: (2S)-2-azaniumyl-2-(2-bromo-5-methoxyphenyl)acetate Traditional Name: (2S)-2-ammonio-2-(2-bromo-5-methoxy-phenyl)acetate Formula: C9H10BrNO3 MolecularWeight: 260.0846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10BrNO3/c1-14-5-2-3-7(10)6(4-5)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m0/s1