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

Systemtic Name: 2-[[methyl-(phenylmethyl)azaniumyl]methyl]benzoate Openeye Name: 2-[[benzyl(methyl)ammonio]methyl]benzoate CAS Name: 2-[[methyl-(phenylmethyl)ammonio]methyl]benzoate IUPAC Name: 2-[[benzyl(methyl)azaniumyl]methyl]benzoate Traditional Name: 2-[[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=CC=C2C(=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC=CC=C2C(=O)[O-]

InChI

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