4-[[(3,4-dichlorophenyl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(3,4-dichlorophenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(3,4-dichlorophenyl)methylammonio]methyl]benzoate CAS Name: 4-[[(3,4-dichlorophenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3,4-dichlorophenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(3,4-dichlorobenzyl)ammonio]methyl]benzoate Formula: C15H13Cl2NO2 MolecularWeight: 310.17522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13Cl2NO2/c16-13-6-3-11(7-14(13)17)9-18-8-10-1-4-12(5-2-10)15(19)20/h1-7,18H,8-9H2,(H,19,20)