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

Systemtic Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methoxy]benzoate Openeye Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methoxy]benzoate CAS Name: 4-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methoxy]benzoate IUPAC Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methoxy]benzoate Traditional Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methoxy]benzoate Formula: C18H19FN2O3 MolecularWeight: 330.353463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1COC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1COC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3F

InChI

InChI=1S/C18H19FN2O3/c19-16-3-1-2-4-17(16)21-11-9-20(10-12-21)13-24-15-7-5-14(6-8-15)18(22)23/h1-8H,9-13H2,(H,22,23)