1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methyl-piperazin-4-ium CAS Name: 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazin-4-ium Traditional Name: 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methyl-piperazin-4-ium Formula: C16H22FN4+ MolecularWeight: 289.371083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC2=C(NN=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)CCC2=C(NN=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H21FN4/c1-20-8-10-21(11-9-20)7-6-14-12-18-19-16(14)13-2-4-15(17)5-3-13/h2-5,12H,6-11H2,1H3,(H,18,19)/p+1