4-[[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[3-(2,4-dichlorobenzyl)oxybenzyl]ammonio]methyl]benzoate Formula: C22H19Cl2NO3 MolecularWeight: 416.29716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=C(C=C(C=C2)Cl)Cl)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=C(C=C(C=C2)Cl)Cl)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

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