3-[[methyl(2-pyridin-2-ylethyl)azaniumyl]methyl]benzoate

Systemtic Name: 3-[[methyl(2-pyridin-2-ylethyl)azaniumyl]methyl]benzoate Openeye Name: 3-[[methyl-[2-(2-pyridyl)ethyl]ammonio]methyl]benzoate CAS Name: 3-[[methyl-[2-(2-pyridinyl)ethyl]ammonio]methyl]benzoate IUPAC Name: 3-[[methyl(2-pyridin-2-ylethyl)azaniumyl]methyl]benzoate Traditional Name: 3-[[methyl-[2-(2-pyridyl)ethyl]ammonio]methyl]benzoate Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H18N2O2/c1-18(10-8-15-7-2-3-9-17-15)12-13-5-4-6-14(11-13)16(19)20/h2-7,9,11H,8,10,12H2,1H3,(H,19,20)