4-[[bis(phenylmethyl)azaniumyl]methyl]benzoate

Systemtic Name: 4-[[bis(phenylmethyl)azaniumyl]methyl]benzoate Openeye Name: 4-[(dibenzylammonio)methyl]benzoate CAS Name: 4-[[bis(phenylmethyl)ammonio]methyl]benzoate IUPAC Name: 4-[(dibenzylazaniumyl)methyl]benzoate Traditional Name: 4-[(dibenzylammonio)methyl]benzoate Formula: C22H21NO2 MolecularWeight: 331.40764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C22H21NO2/c24-22(25)21-13-11-20(12-14-21)17-23(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-14H,15-17H2,(H,24,25)