(2R)-2-(azaniumylmethyl)-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: (2R)-2-(azaniumylmethyl)-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: (2R)-2-(azaniumylmethyl)-3-(3,4-dimethoxyphenyl)propanoate CAS Name: (2R)-2-(ammoniomethyl)-3-(3,4-dimethoxyphenyl)propanoate IUPAC Name: (2R)-2-(azaniumylmethyl)-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: (2R)-2-(ammoniomethyl)-3-(3,4-dimethoxyphenyl)propionate Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4/c1-16-10-4-3-8(6-11(10)17-2)5-9(7-13)12(14)15/h3-4,6,9H,5,7,13H2,1-2H3,(H,14,15)/t9-/m1/s1