4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanoate

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanoate Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanoate CAS Name: 4-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]butanoate IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butanoate Traditional Name: 4-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]butyrate Formula: C14H19FN2O2 MolecularWeight: 266.311263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19FN2O2/c15-12-3-5-13(6-4-12)17-10-8-16(9-11-17)7-1-2-14(18)19/h3-6H,1-2,7-11H2,(H,18,19)