4-[[(4-phenylmethoxyphenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(4-phenylmethoxyphenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(4-benzyloxyphenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(4-phenylmethoxyphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(4-phenylmethoxyphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(4-benzoxybenzyl)ammonio]methyl]benzoate Formula: C22H21NO3 MolecularWeight: 347.40704

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO3/c24-22(25)20-10-6-17(7-11-20)14-23-15-18-8-12-21(13-9-18)26-16-19-4-2-1-3-5-19/h1-13,23H,14-16H2,(H,24,25)