1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-(4-fluorophenyl)-4-[(1-phenyl-4-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-fluorophenyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium Formula: C20H22FN4+ MolecularWeight: 337.413883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN(N=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN(N=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN4/c21-18-6-8-19(9-7-18)24-12-10-23(11-13-24)15-17-14-22-25(16-17)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15H2/p+1