(E)-3-(4-fluorophenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-fluorophenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Openeye Name: (E)-3-(4-fluorophenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one CAS Name: (E)-3-(4-fluorophenyl)-1-(1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(4-fluorophenyl)-1-piperazin-4-ium-1-ylprop-2-en-1-one Traditional Name: (E)-3-(4-fluorophenyl)-1-piperazin-4-ium-1-yl-prop-2-en-1-one Formula: C13H16FN2O+ MolecularWeight: 235.277343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C13H15FN2O/c14-12-4-1-11(2-5-12)3-6-13(17)16-9-7-15-8-10-16/h1-6,15H,7-10H2/p+1/b6-3+