4-[[methyl(2-pyridin-4-ylethyl)azaniumyl]methyl]benzoate

Systemtic Name: 4-[[methyl(2-pyridin-4-ylethyl)azaniumyl]methyl]benzoate Openeye Name: 4-[[methyl-[2-(4-pyridyl)ethyl]ammonio]methyl]benzoate CAS Name: 4-[[methyl(2-pyridin-4-ylethyl)ammonio]methyl]benzoate IUPAC Name: 4-[[methyl(2-pyridin-4-ylethyl)azaniumyl]methyl]benzoate Traditional Name: 4-[[methyl-[2-(4-pyridyl)ethyl]ammonio]methyl]benzoate Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=NC=C1)CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](CCC1=CC=NC=C1)CC2=CC=C(C=C2)C(=O)[O-]

InChI

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