1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Openeye Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-4-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Traditional Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Formula: C22H25FN5O2+ MolecularWeight: 410.464603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN5O2/c1-26-10-12-27(13-11-26)25-22(29)20-15-28(18-8-6-17(23)7-9-18)24-21(20)16-4-3-5-19(14-16)30-2/h3-9,14-15H,10-13H2,1-2H3,(H,25,29)/p+1