(2S)-2-azaniumyl-4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoate

Systemtic Name: (2S)-2-azaniumyl-4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: (2S)-2-azaniumyl-4-(4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: (2S)-2-ammonio-4-(4-chloro-3,5-dimethylphenoxy)butanoate IUPAC Name: (2S)-2-azaniumyl-4-(4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: (2S)-2-ammonio-4-(4-chloro-3,5-dimethyl-phenoxy)butyrate Formula: C12H16ClNO3 MolecularWeight: 257.71334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H16ClNO3/c1-7-5-9(6-8(2)11(7)13)17-4-3-10(14)12(15)16/h5-6,10H,3-4,14H2,1-2H3,(H,15,16)/t10-/m0/s1