(4R)-4-azaniumyl-4-(3,4-dimethoxyphenyl)butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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