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

Systemtic Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propoxy]benzoate Openeye Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propoxy]benzoate CAS Name: 3-[3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]propoxy]benzoate IUPAC Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propoxy]benzoate Traditional Name: 3-[3-[4-(4-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(=C2)C(=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC(=C2)C(=O)[O-])C3=CC=C(C=C3)F

InChI

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