(3S)-3-azaniumyl-4-(2,4-dimethoxyphenyl)butanoate

Systemtic Name: (3S)-3-azaniumyl-4-(2,4-dimethoxyphenyl)butanoate Openeye Name: (3S)-3-azaniumyl-4-(2,4-dimethoxyphenyl)butanoate CAS Name: (3S)-3-ammonio-4-(2,4-dimethoxyphenyl)butanoate IUPAC Name: (3S)-3-azaniumyl-4-(2,4-dimethoxyphenyl)butanoate Traditional Name: (3S)-3-ammonio-4-(2,4-dimethoxyphenyl)butyrate Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4/c1-16-10-4-3-8(11(7-10)17-2)5-9(13)6-12(14)15/h3-4,7,9H,5-6,13H2,1-2H3,(H,14,15)/t9-/m0/s1