5-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide Openeye Name: 5-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxamide CAS Name: 5-methyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxamide IUPAC Name: 5-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide Traditional Name: 5-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxamide Formula: C21H23F3N7O+ MolecularWeight: 446.44883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H22F3N7O/c1-14-17(13-27-31(14)19-5-3-15(11-25-19)21(22,23)24)20(32)28-16-4-6-18(26-12-16)30-9-7-29(2)8-10-30/h3-6,11-13H,7-10H2,1-2H3,(H,28,32)/p+1