(3S)-3-azaniumyl-3-(2-chloranyl-4-methoxy-phenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(2-chloranyl-4-methoxy-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(2-chloro-4-methoxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(2-chloro-4-methoxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(2-chloro-4-methoxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(2-chloro-4-methoxy-phenyl)propionate Formula: C10H12ClNO3 MolecularWeight: 229.66018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12ClNO3/c1-15-6-2-3-7(8(11)4-6)9(12)5-10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)/t9-/m0/s1