(2S)-2-azaniumyl-3-(4-methoxy-3-oxidanyl-phenyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(4-methoxy-3-oxidanyl-phenyl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(3-hydroxy-4-methoxy-phenyl)propanoate CAS Name: (2S)-2-ammonio-3-(3-hydroxy-4-methoxyphenyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(3-hydroxy-4-methoxyphenyl)propanoate Traditional Name: (2S)-2-ammonio-3-(3-hydroxy-4-methoxy-phenyl)propionate Formula: C10H13NO4 MolecularWeight: 211.21452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO4/c1-15-9-3-2-6(5-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1