4-[[[3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[3-bromo-4-(4-chlorobenzyl)oxy-benzyl]ammonio]methyl]benzoate Formula: C22H19BrClNO3 MolecularWeight: 460.74816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrClNO3/c23-20-11-17(13-25-12-15-1-6-18(7-2-15)22(26)27)5-10-21(20)28-14-16-3-8-19(24)9-4-16/h1-11,25H,12-14H2,(H,26,27)