(3S)-3-azaniumyl-3-(5-chloranyl-2-methoxy-phenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(5-chloranyl-2-methoxy-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(5-chloro-2-methoxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(5-chloro-2-methoxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(5-chloro-2-methoxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(5-chloro-2-methoxy-phenyl)propionate Formula: C10H12ClNO3 MolecularWeight: 229.66018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C10H12ClNO3/c1-15-9-3-2-6(11)4-7(9)8(12)5-10(13)14/h2-4,8H,5,12H2,1H3,(H,13,14)/t8-/m0/s1