4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]benzoate

Systemtic Name: 4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]benzoate Openeye Name: 4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]benzoate CAS Name: 4-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]benzoate IUPAC Name: 4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]benzoate Formula: C18H19FN2O2 MolecularWeight: 314.354063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H19FN2O2/c19-16-5-1-14(2-6-16)13-20-9-11-21(12-10-20)17-7-3-15(4-8-17)18(22)23/h1-8H,9-13H2,(H,22,23)