2-(3-oxidanyl-4-phenyl-phenyl)propanoate; (phenylmethyl)azanium

Systemtic Name: 2-(3-oxidanyl-4-phenyl-phenyl)propanoate; (phenylmethyl)azanium Openeye Name: benzylammonium; 2-(3-hydroxy-4-phenyl-phenyl)propanoate CAS Name: 2-(3-hydroxy-4-phenylphenyl)propanoate; (phenylmethyl)ammonium IUPAC Name: benzylazanium; 2-(3-hydroxy-4-phenylphenyl)propanoate Traditional Name: benzylammonium; 2-(3-hydroxy-4-phenyl-phenyl)propionate Formula: C22H23NO3 MolecularWeight: 349.42292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)O)C(=O)[O-].C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)O)C(=O)[O-].C1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C15H14O3.C7H9N/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;8-6-7-4-2-1-3-5-7/h2-10,16H,1H3,(H,17,18);1-5H,6,8H2