4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,1,2-trimethyl-piperazin-1-ium

Systemtic Name: 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,1,2-trimethyl-piperazin-1-ium Openeye Name: 4-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]-1,1,2-trimethyl-piperazin-1-ium CAS Name: 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,1,2-trimethylpiperazin-1-ium IUPAC Name: 4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,1,2-trimethylpiperazin-1-ium Traditional Name: 4-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]-1,1,2-trimethyl-piperazin-1-ium Formula: C21H25FN5+ MolecularWeight: 366.455103

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[N+]1(C)C)C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1CN(CC[N+]1(C)C)C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H25FN5/c1-15-14-26(12-13-27(15,2)3)21-19(16-8-10-23-11-9-16)20(24-25-21)17-4-6-18(22)7-5-17/h4-11,15H,12-14H2,1-3H3,(H,24,25)/q+1