(2S)-2-azaniumyl-3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: (2S)-2-ammonio-3-(3,4,5-trimethoxyphenyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: (2S)-2-ammonio-3-(3,4,5-trimethoxyphenyl)propionate Formula: C12H17NO5 MolecularWeight: 255.26708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H17NO5/c1-16-9-5-7(4-8(13)12(14)15)6-10(17-2)11(9)18-3/h5-6,8H,4,13H2,1-3H3,(H,14,15)/t8-/m0/s1