1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]ethanone

Systemtic Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]ethanone Openeye Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]ethanone CAS Name: 1-[4-(2-fluorophenyl)-1-piperazinyl]-2-[5-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-pyrazolyl]ethanone IUPAC Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]ethanone Traditional Name: 1-[4-(2-fluorophenyl)piperazino]-2-[5-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]ethanone Formula: C22H30FN6O2+ MolecularWeight: 429.511003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H29FN6O2/c1-17-15-19(22(31)28-9-7-25(2)8-10-28)24-29(17)16-21(30)27-13-11-26(12-14-27)20-6-4-3-5-18(20)23/h3-6,15H,7-14,16H2,1-2H3/p+1