(2R)-2-azaniumyl-2-(3-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: (2R)-2-azaniumyl-2-(3-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: (2R)-2-azaniumyl-2-(3-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: (2R)-2-ammonio-2-(3-bromo-4,5-dimethoxyphenyl)acetate IUPAC Name: (2R)-2-azaniumyl-2-(3-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: (2R)-2-ammonio-2-(3-bromo-4,5-dimethoxy-phenyl)acetate Formula: C10H12BrNO4 MolecularWeight: 290.11058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12BrNO4/c1-15-7-4-5(8(12)10(13)14)3-6(11)9(7)16-2/h3-4,8H,12H2,1-2H3,(H,13,14)/t8-/m1/s1