(3S)-3-azaniumyl-3-(3-bromanyl-4,5-dimethoxy-phenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(3-bromanyl-4,5-dimethoxy-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(3-bromo-4,5-dimethoxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3-bromo-4,5-dimethoxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3-bromo-4,5-dimethoxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(3-bromo-4,5-dimethoxy-phenyl)propionate Formula: C11H14BrNO4 MolecularWeight: 304.13716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14BrNO4/c1-16-9-4-6(8(13)5-10(14)15)3-7(12)11(9)17-2/h3-4,8H,5,13H2,1-2H3,(H,14,15)/t8-/m0/s1