4-[[(3-fluorophenyl)methyl-methyl-azaniumyl]methyl]benzoate

Systemtic Name: 4-[[(3-fluorophenyl)methyl-methyl-azaniumyl]methyl]benzoate Openeye Name: 4-[[(3-fluorophenyl)methyl-methyl-ammonio]methyl]benzoate CAS Name: 4-[[(3-fluorophenyl)methyl-methylammonio]methyl]benzoate IUPAC Name: 4-[[(3-fluorophenyl)methyl-methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(3-fluorobenzyl)-methyl-ammonio]methyl]benzoate Formula: C16H16FNO2 MolecularWeight: 273.302143

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C(=O)[O-])CC2=CC(=CC=C2)F

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C(=O)[O-])CC2=CC(=CC=C2)F

InChI

InChI=1S/C16H16FNO2/c1-18(11-13-3-2-4-15(17)9-13)10-12-5-7-14(8-6-12)16(19)20/h2-9H,10-11H2,1H3,(H,19,20)