3-[2-(2-azaniumylethyl)phenyl]benzoate

Systemtic Name: 3-[2-(2-azaniumylethyl)phenyl]benzoate Openeye Name: 3-[2-(2-azaniumylethyl)phenyl]benzoate CAS Name: 3-[2-(2-ammonioethyl)phenyl]benzoate IUPAC Name: 3-[2-(2-azaniumylethyl)phenyl]benzoate Traditional Name: 3-[2-(2-ammonioethyl)phenyl]benzoate Formula: C15H15NO2 MolecularWeight: 241.2851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO2/c16-9-8-11-4-1-2-7-14(11)12-5-3-6-13(10-12)15(17)18/h1-7,10H,8-9,16H2,(H,17,18)