5-[[methyl(2-pyridin-4-ylethyl)azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[methyl(2-pyridin-4-ylethyl)azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[methyl-[2-(4-pyridyl)ethyl]ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[methyl(2-pyridin-4-ylethyl)ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[methyl(2-pyridin-4-ylethyl)azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[methyl-[2-(4-pyridyl)ethyl]ammonio]methyl]-2-furoate Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=NC=C1)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C[NH+](CCC1=CC=NC=C1)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C14H16N2O3/c1-16(9-6-11-4-7-15-8-5-11)10-12-2-3-13(19-12)14(17)18/h2-5,7-8H,6,9-10H2,1H3,(H,17,18)