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

Systemtic Name: 4-[[methyl(2-pyridin-4-ylethyl)azaniumyl]methoxy]benzoate Openeye Name: 4-[[methyl-[2-(4-pyridyl)ethyl]ammonio]methoxy]benzoate CAS Name: 4-[[methyl(2-pyridin-4-ylethyl)ammonio]methoxy]benzoate IUPAC Name: 4-[[methyl(2-pyridin-4-ylethyl)azaniumyl]methoxy]benzoate Traditional Name: 4-[[methyl-[2-(4-pyridyl)ethyl]ammonio]methoxy]benzoate Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=NC=C1)COC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](CCC1=CC=NC=C1)COC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H18N2O3/c1-18(11-8-13-6-9-17-10-7-13)12-21-15-4-2-14(3-5-15)16(19)20/h2-7,9-10H,8,11-12H2,1H3,(H,19,20)