(2R)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-2-(methylazaniumyl)propanoate

Systemtic Name: (2R)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-2-(methylazaniumyl)propanoate Openeye Name: (2R)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-2-(methylammonio)propanoate CAS Name: (2R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(methylammonio)propanoate IUPAC Name: (2R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(methylazaniumyl)propanoate Traditional Name: (2R)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-2-(methylammonio)propionate Formula: C12H17NO5 MolecularWeight: 255.26708

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C(CC1=CC(=C(C(=C1)OC)O)OC)C(=O)[O-]

Isomeric SMILES

C[NH2+][C@H](CC1=CC(=C(C(=C1)OC)O)OC)C(=O)[O-]

InChI

InChI=1S/C12H17NO5/c1-13-8(12(15)16)4-7-5-9(17-2)11(14)10(6-7)18-3/h5-6,8,13-14H,4H2,1-3H3,(H,15,16)/t8-/m1/s1