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

Systemtic Name: 4-[[[2-[(2-chlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[2-[(2-chlorophenyl)methoxy]phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[2-[(2-chlorophenyl)methoxy]phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[2-[(2-chlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[2-(2-chlorobenzyl)oxybenzyl]ammonio]methyl]benzoate Formula: C22H20ClNO3 MolecularWeight: 381.8521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])OCC3=CC=CC=C3Cl

InChI

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