(2S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-methyl-2-phenyl-piperazin-4-ium

Systemtic Name: (2S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-methyl-2-phenyl-piperazin-4-ium Openeye Name: (2S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-methyl-2-phenyl-piperazin-4-ium CAS Name: (2S)-1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-4-methyl-2-phenylpiperazin-4-ium IUPAC Name: (2S)-1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-4-methyl-2-phenylpiperazin-4-ium Traditional Name: (2S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-methyl-2-phenyl-piperazin-4-ium Formula: C22H26FN4+ MolecularWeight: 365.467043

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)CC3=CN(N=C3C4=CC=CC=C4F)C

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)CC3=CN(N=C3C4=CC=CC=C4F)C

InChI

InChI=1S/C22H25FN4/c1-25-12-13-27(21(16-25)17-8-4-3-5-9-17)15-18-14-26(2)24-22(18)19-10-6-7-11-20(19)23/h3-11,14,21H,12-13,15-16H2,1-2H3/p+1/t21-/m1/s1