(4R)-4-azaniumyl-4-(2,5-dimethoxyphenyl)butanoate

Systemtic Name: (4R)-4-azaniumyl-4-(2,5-dimethoxyphenyl)butanoate Openeye Name: (4R)-4-azaniumyl-4-(2,5-dimethoxyphenyl)butanoate CAS Name: (4R)-4-ammonio-4-(2,5-dimethoxyphenyl)butanoate IUPAC Name: (4R)-4-azaniumyl-4-(2,5-dimethoxyphenyl)butanoate Traditional Name: (4R)-4-ammonio-4-(2,5-dimethoxyphenyl)butyrate Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4/c1-16-8-3-5-11(17-2)9(7-8)10(13)4-6-12(14)15/h3,5,7,10H,4,6,13H2,1-2H3,(H,14,15)/t10-/m1/s1