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

Systemtic Name: 4-[[(3-methylphenyl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[(m-tolylmethylammonio)methyl]benzoate CAS Name: 4-[[(3-methylphenyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-methylphenyl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(3-methylbenzyl)ammonio]methyl]benzoate Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H17NO2/c1-12-3-2-4-14(9-12)11-17-10-13-5-7-15(8-6-13)16(18)19/h2-9,17H,10-11H2,1H3,(H,18,19)