1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]-4-methyl-piperazine-1,4-diium Formula: C16H23FN4+2 MolecularWeight: 290.379023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CC[NH+](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+2