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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO5/c1-16-9-5-4-7(6-8(13)12(14)15)10(17-2)11(9)18-3/h4-5,8H,6,13H2,1-3H3,(H,14,15)/t8-/m0/s1