(4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(3-fluorophenyl)-5-methyl-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]methanone Formula: C17H22FN4O+ MolecularWeight: 317.381183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21FN4O/c1-3-20-7-9-21(10-8-20)17(23)16-12-19-22(13(16)2)15-6-4-5-14(18)11-15/h4-6,11-12H,3,7-10H2,1-2H3/p+1