[5-[(2-fluoranylphenoxy)methyl]-1H-pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-[(2-fluoranylphenoxy)methyl]-1H-pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C16H20FN4O2+ MolecularWeight: 319.354003

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NNC(=C2)COC3=CC=CC=C3F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NNC(=C2)COC3=CC=CC=C3F

InChI

InChI=1S/C16H19FN4O2/c1-20-6-8-21(9-7-20)16(22)14-10-12(18-19-14)11-23-15-5-3-2-4-13(15)17/h2-5,10H,6-9,11H2,1H3,(H,18,19)/p+1