methyl 4-[5-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]-1-methyl-piperazin-1-ium-1-carboxylate

Systemtic Name: methyl 4-[5-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]-1-methyl-piperazin-1-ium-1-carboxylate Openeye Name: methyl 4-[5-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]-1-methyl-piperazin-1-ium-1-carboxylate CAS Name: 4-[5-(4-fluorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-3-yl]-1-methyl-1-piperazin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-[5-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-1-ium-1-carboxylate Traditional Name: 4-[5-(4-fluorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-3-yl]-1-methyl-piperazin-1-ium-1-carboxylic acid methyl ester Formula: C20H22FN6O2+ MolecularWeight: 397.426083

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NNC(=C2C3=NC=NC=C3)C4=CC=C(C=C4)F)C(=O)OC

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NNC(=C2C3=NC=NC=C3)C4=CC=C(C=C4)F)C(=O)OC

InChI

InChI=1S/C20H22FN6O2/c1-27(20(28)29-2)11-9-26(10-12-27)19-17(16-7-8-22-13-23-16)18(24-25-19)14-3-5-15(21)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,24,25)/q+1