(2S)-2-azaniumyl-4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: (2S)-2-azaniumyl-4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: (2S)-2-azaniumyl-4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: (2S)-2-ammonio-4-(4-chloro-3-methylphenoxy)butanoate IUPAC Name: (2S)-2-azaniumyl-4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: (2S)-2-ammonio-4-(4-chloro-3-methyl-phenoxy)butyrate Formula: C11H14ClNO3 MolecularWeight: 243.68676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC(C(=O)[O-])[NH3+])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC[C@@H](C(=O)[O-])[NH3+])Cl

InChI

InChI=1S/C11H14ClNO3/c1-7-6-8(2-3-9(7)12)16-5-4-10(13)11(14)15/h2-3,6,10H,4-5,13H2,1H3,(H,14,15)/t10-/m0/s1