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

Systemtic Name: 4-[[[4-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[4-[(4-chlorophenyl)methoxy]phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[4-[(4-chlorophenyl)methoxy]phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[4-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[4-(4-chlorobenzyl)oxybenzyl]ammonio]methyl]benzoate Formula: C22H20ClNO3 MolecularWeight: 381.8521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO3/c23-20-9-3-18(4-10-20)15-27-21-11-5-17(6-12-21)14-24-13-16-1-7-19(8-2-16)22(25)26/h1-12,24H,13-15H2,(H,25,26)