4-[[methyl-(phenylmethyl)azaniumyl]methyl]benzoate

Systemtic Name: 4-[[methyl-(phenylmethyl)azaniumyl]methyl]benzoate Openeye Name: 4-[[benzyl(methyl)ammonio]methyl]benzoate CAS Name: 4-[[methyl-(phenylmethyl)ammonio]methyl]benzoate IUPAC Name: 4-[[benzyl(methyl)azaniumyl]methyl]benzoate Traditional Name: 4-[[benzyl(methyl)ammonio]methyl]benzoate Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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