3-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethoxy]benzoate

Systemtic Name: 3-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethoxy]benzoate Openeye Name: 3-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethoxy]benzoate CAS Name: 3-[2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]ethoxy]benzoate IUPAC Name: 3-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethoxy]benzoate Traditional Name: 3-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethoxy]benzoate Formula: C19H21FN2O3 MolecularWeight: 344.380043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC(=C2)C(=O)[O-])C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC(=C2)C(=O)[O-])C3=CC=CC=C3F

InChI

InChI=1S/C19H21FN2O3/c20-17-6-1-2-7-18(17)22-10-8-21(9-11-22)12-13-25-16-5-3-4-15(14-16)19(23)24/h1-7,14H,8-13H2,(H,23,24)