4-[[[5-chloranyl-2-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[5-chloranyl-2-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[5-chloro-2-(4-chlorobenzyl)oxy-benzyl]ammonio]methyl]benzoate Formula: C22H19Cl2NO3 MolecularWeight: 416.29716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CC2=C(C=CC(=C2)Cl)OCC3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CC2=C(C=CC(=C2)Cl)OCC3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C22H19Cl2NO3/c23-19-7-3-16(4-8-19)14-28-21-10-9-20(24)11-18(21)13-25-12-15-1-5-17(6-2-15)22(26)27/h1-11,25H,12-14H2,(H,26,27)