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

Systemtic Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethoxy]benzoate Openeye Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethoxy]benzoate CAS Name: 2-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]ethoxy]benzoate IUPAC Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethoxy]benzoate Traditional Name: 2-[2-[4-(4-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=C2C(=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2C(=O)[O-])C3=CC=C(C=C3)F

InChI

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