2-azaniumyl-3-(4-chlorophenyl)propanoate

Systemtic Name: 2-azaniumyl-3-(4-chlorophenyl)propanoate Openeye Name: 2-azaniumyl-3-(4-chlorophenyl)propanoate CAS Name: 2-ammonio-3-(4-chlorophenyl)propanoate IUPAC Name: 2-azaniumyl-3-(4-chlorophenyl)propanoate Traditional Name: 2-ammonio-3-(4-chlorophenyl)propionate Formula: C9H10ClNO2 MolecularWeight: 199.6342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])[NH3+])Cl

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)[O-])[NH3+])Cl

InChI

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