(2R)-2-azaniumyl-2-(3,4-diethoxyphenyl)ethanoate

Systemtic Name: (2R)-2-azaniumyl-2-(3,4-diethoxyphenyl)ethanoate Openeye Name: (2R)-2-azaniumyl-2-(3,4-diethoxyphenyl)acetate CAS Name: (2R)-2-ammonio-2-(3,4-diethoxyphenyl)acetate IUPAC Name: (2R)-2-azaniumyl-2-(3,4-diethoxyphenyl)acetate Traditional Name: (2R)-2-ammonio-2-(3,4-diethoxyphenyl)acetate Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C(=O)[O-])[NH3+])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](C(=O)[O-])[NH3+])OCC

InChI

InChI=1S/C12H17NO4/c1-3-16-9-6-5-8(11(13)12(14)15)7-10(9)17-4-2/h5-7,11H,3-4,13H2,1-2H3,(H,14,15)/t11-/m1/s1