[5-(4-fluoranyl-3-methyl-phenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [5-(4-fluoranyl-3-methyl-phenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [5-(4-fluoro-3-methyl-phenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone CAS Name: [5-(4-fluoro-3-methylphenyl)-1-methyl-3-pyrazolyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [5-(4-fluoro-3-methyl-phenyl)-1-methyl-pyrazol-3-yl]-piperazin-4-ium-1-yl-methanone Formula: C16H20FN4O+ MolecularWeight: 303.354603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=NN2C)C(=O)N3CC[NH2+]CC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=NN2C)C(=O)N3CC[NH2+]CC3)F

InChI

InChI=1S/C16H19FN4O/c1-11-9-12(3-4-13(11)17)15-10-14(19-20(15)2)16(22)21-7-5-18-6-8-21/h3-4,9-10,18H,5-8H2,1-2H3/p+1