[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[4-(2-fluorophenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C20H22FN6O+ MolecularWeight: 381.426683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H21FN6O/c1-14-16(19(28)26-11-9-25(2)10-12-26)13-23-27(14)20-22-8-7-18(24-20)15-5-3-4-6-17(15)21/h3-8,13H,9-12H2,1-2H3/p+1