(3S)-3-azaniumyl-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(3,4-dimethoxyphenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3,4-dimethoxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(3,4-dimethoxyphenyl)propionate Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4/c1-15-9-4-3-7(5-10(9)16-2)8(12)6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)/t8-/m0/s1