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

Systemtic Name: 4-[[(phenylmethyl)azaniumyl]methyl]benzoate Openeye Name: 4-[(benzylammonio)methyl]benzoate CAS Name: 4-[[(phenylmethyl)ammonio]methyl]benzoate IUPAC Name: 4-[(benzylazaniumyl)methyl]benzoate Traditional Name: 4-[(benzylammonio)methyl]benzoate Formula: C15H15NO2 MolecularWeight: 241.2851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO2/c17-15(18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2,(H,17,18)