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

Systemtic Name: 2-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propoxy]benzoate Openeye Name: 2-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propoxy]benzoate CAS Name: 2-[3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]propoxy]benzoate IUPAC Name: 2-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propoxy]benzoate Traditional Name: 2-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propoxy]benzoate Formula: C20H23FN2O3 MolecularWeight: 358.406623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=CC=C2C(=O)[O-])C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC=C2C(=O)[O-])C3=CC=CC=C3F

InChI

InChI=1S/C20H23FN2O3/c21-17-7-2-3-8-18(17)23-13-11-22(12-14-23)10-5-15-26-19-9-4-1-6-16(19)20(24)25/h1-4,6-9H,5,10-15H2,(H,24,25)