4-[4-[2-(4-fluorophenyl)ethyl]piperazin-4-ium-1-yl]benzoate

Systemtic Name: 4-[4-[2-(4-fluorophenyl)ethyl]piperazin-4-ium-1-yl]benzoate Openeye Name: 4-[4-[2-(4-fluorophenyl)ethyl]piperazin-4-ium-1-yl]benzoate CAS Name: 4-[4-[2-(4-fluorophenyl)ethyl]-1-piperazin-4-iumyl]benzoate IUPAC Name: 4-[4-[2-(4-fluorophenyl)ethyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-[2-(4-fluorophenyl)ethyl]piperazin-4-ium-1-yl]benzoate Formula: C19H21FN2O2 MolecularWeight: 328.380643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=C(C=C2)F)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=C(C=C2)F)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H21FN2O2/c20-17-5-1-15(2-6-17)9-10-21-11-13-22(14-12-21)18-7-3-16(4-8-18)19(23)24/h1-8H,9-14H2,(H,23,24)