3-[[4-(azaniumylmethyl)phenoxy]methyl]benzoate

Systemtic Name: 3-[[4-(azaniumylmethyl)phenoxy]methyl]benzoate Openeye Name: 3-[[4-(azaniumylmethyl)phenoxy]methyl]benzoate CAS Name: 3-[[4-(ammoniomethyl)phenoxy]methyl]benzoate IUPAC Name: 3-[[4-(azaniumylmethyl)phenoxy]methyl]benzoate Traditional Name: 3-[[4-(ammoniomethyl)phenoxy]methyl]benzoate Formula: C15H15NO3 MolecularWeight: 257.2845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C[NH3+])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C[NH3+])C(=O)[O-]

InChI

InChI=1S/C15H15NO3/c16-9-11-4-6-14(7-5-11)19-10-12-2-1-3-13(8-12)15(17)18/h1-8H,9-10,16H2,(H,17,18)