4-[[(3-bromophenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(3-bromophenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(3-bromophenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3-bromophenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-bromophenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(3-bromobenzyl)ammonio]methyl]benzoate Formula: C15H14BrNO2 MolecularWeight: 320.18116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrNO2/c16-14-3-1-2-12(8-14)10-17-9-11-4-6-13(7-5-11)15(18)19/h1-8,17H,9-10H2,(H,18,19)