3-[2-[(3,4-dichlorophenyl)carbonyl-methyl-amino]phenyl]propanoate; (phenylmethyl)azanium

Systemtic Name: 3-[2-[(3,4-dichlorophenyl)carbonyl-methyl-amino]phenyl]propanoate; (phenylmethyl)azanium Openeye Name: benzylammonium; 3-[2-[(3,4-dichlorobenzoyl)-methyl-amino]phenyl]propanoate CAS Name: 3-[2-[[(3,4-dichlorophenyl)-oxomethyl]-methylamino]phenyl]propanoate; (phenylmethyl)ammonium IUPAC Name: benzylazanium; 3-[2-[(3,4-dichlorobenzoyl)-methylamino]phenyl]propanoate Traditional Name: benzylammonium; 3-[2-[(3,4-dichlorobenzoyl)-methyl-amino]phenyl]propionate Formula: C24H24Cl2N2O3 MolecularWeight: 459.36496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1CCC(=O)[O-])C(=O)C2=CC(=C(C=C2)Cl)Cl.C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

CN(C1=CC=CC=C1CCC(=O)[O-])C(=O)C2=CC(=C(C=C2)Cl)Cl.C1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C17H15Cl2NO3.C7H9N/c1-20(17(23)12-6-8-13(18)14(19)10-12)15-5-3-2-4-11(15)7-9-16(21)22;8-6-7-4-2-1-3-5-7/h2-6,8,10H,7,9H2,1H3,(H,21,22);1-5H,6,8H2