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

Systemtic Name: 4-[[[4-[(2-chlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[4-[(2-chlorophenyl)methoxy]phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[4-[(2-chlorophenyl)methoxy]phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[4-[(2-chlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[4-(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)COC2=CC=C(C=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)COC2=CC=C(C=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])Cl

InChI

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