5-[[(3-fluorophenyl)methyl-methyl-azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[(3-fluorophenyl)methyl-methyl-azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[(3-fluorophenyl)methyl-methyl-ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[(3-fluorophenyl)methyl-methylammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[(3-fluorophenyl)methyl-methylazaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[(3-fluorobenzyl)-methyl-ammonio]methyl]-2-furoate Formula: C14H14FNO3 MolecularWeight: 263.264263

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)F)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)F)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C14H14FNO3/c1-16(8-10-3-2-4-11(15)7-10)9-12-5-6-13(19-12)14(17)18/h2-7H,8-9H2,1H3,(H,17,18)