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

Systemtic Name: 4-[[(4-carboxylatophenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(4-carboxylatophenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(4-carboxylatophenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(4-carboxylatophenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(4-carboxylatobenzyl)ammonio]methyl]benzoate Formula: C16H14NO4- MolecularWeight: 284.28666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H15NO4/c18-15(19)13-5-1-11(2-6-13)9-17-10-12-3-7-14(8-4-12)16(20)21/h1-8,17H,9-10H2,(H,18,19)(H,20,21)/p-1