(1,5-diphenylpyrazol-3-yl)-(4-fluoranyl-4-methyl-piperazin-4-ium-1-yl)methanone

Systemtic Name: (1,5-diphenylpyrazol-3-yl)-(4-fluoranyl-4-methyl-piperazin-4-ium-1-yl)methanone Openeye Name: (1,5-diphenylpyrazol-3-yl)-(4-fluoro-4-methyl-piperazin-4-ium-1-yl)methanone CAS Name: (1,5-diphenyl-3-pyrazolyl)-(4-fluoro-4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (1,5-diphenylpyrazol-3-yl)-(4-fluoro-4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (1,5-diphenylpyrazol-3-yl)-(4-fluoro-4-methyl-piperazin-4-ium-1-yl)methanone Formula: C21H22FN4O+ MolecularWeight: 365.423983

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)F

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C21H22FN4O/c1-26(22)14-12-24(13-15-26)21(27)19-16-20(17-8-4-2-5-9-17)25(23-19)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3/q+1