N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]acetamide Formula: C22H24F3N6O+ MolecularWeight: 445.46077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C22H23F3N6O/c1-16-13-20(31(28-16)18-5-3-2-4-6-18)27-21(32)15-29-9-11-30(12-10-29)19-8-7-17(14-26-19)22(23,24)25/h2-8,13-14H,9-12,15H2,1H3,(H,27,32)/p+1