(2S)-3-(4-acetyloxyphenyl)-2-azaniumyl-propanoate

Systemtic Name: (2S)-3-(4-acetyloxyphenyl)-2-azaniumyl-propanoate Openeye Name: (2S)-3-(4-acetoxyphenyl)-2-azaniumyl-propanoate CAS Name: (2S)-3-(4-acetyloxyphenyl)-2-ammoniopropanoate IUPAC Name: (2S)-3-(4-acetyloxyphenyl)-2-azaniumylpropanoate Traditional Name: (2S)-3-(4-acetoxyphenyl)-2-ammonio-propionate Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H13NO4/c1-7(13)16-9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1