2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone Openeye Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone CAS Name: 2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-[(5S)-5-phenyl-3-pyrazolin-1-yl]ethanone Formula: C21H24FN4O+ MolecularWeight: 367.439863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(C=CN2)C3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](C=CN2)C3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C21H23FN4O/c22-18-8-4-5-9-20(18)25-14-12-24(13-15-25)16-21(27)26-19(10-11-23-26)17-6-2-1-3-7-17/h1-11,19,23H,12-16H2/p+1/t19-/m0/s1