5-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]pentanoate

Systemtic Name: 5-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]pentanoate Openeye Name: 5-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]pentanoate CAS Name: 5-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]pentanoate IUPAC Name: 5-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]pentanoate Traditional Name: 5-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]valerate Formula: C15H21FN2O2 MolecularWeight: 280.337843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21FN2O2/c16-13-4-6-14(7-5-13)18-11-9-17(10-12-18)8-2-1-3-15(19)20/h4-7H,1-3,8-12H2,(H,19,20)