(2S,3R)-2-azaniumyl-3-chloranyl-3-phenyl-propanoate

Systemtic Name: (2S,3R)-2-azaniumyl-3-chloranyl-3-phenyl-propanoate Openeye Name: (2S,3R)-2-azaniumyl-3-chloro-3-phenyl-propanoate CAS Name: (2S,3R)-2-ammonio-3-chloro-3-phenylpropanoate IUPAC Name: (2S,3R)-2-azaniumyl-3-chloro-3-phenylpropanoate Traditional Name: (2S,3R)-2-ammonio-3-chloro-3-phenyl-propionate Formula: C9H10ClNO2 MolecularWeight: 199.6342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10ClNO2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H,12,13)/t7-,8-/m1/s1