4-[[2-(4-fluorophenyl)ethylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[2-(4-fluorophenyl)ethylazaniumyl]methyl]benzoate Openeye Name: 4-[[2-(4-fluorophenyl)ethylammonio]methyl]benzoate CAS Name: 4-[[2-(4-fluorophenyl)ethylammonio]methyl]benzoate IUPAC Name: 4-[[2-(4-fluorophenyl)ethylazaniumyl]methyl]benzoate Traditional Name: 4-[[2-(4-fluorophenyl)ethylammonio]methyl]benzoate Formula: C16H16FNO2 MolecularWeight: 273.302143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC[NH2+]CC2=CC=C(C=C2)C(=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CC[NH2+]CC2=CC=C(C=C2)C(=O)[O-])F

InChI

InChI=1S/C16H16FNO2/c17-15-7-3-12(4-8-15)9-10-18-11-13-1-5-14(6-2-13)16(19)20/h1-8,18H,9-11H2,(H,19,20)