N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-piperidino-5-(trifluoromethyl)phenyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28F3N6O+ MolecularWeight: 449.49253

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27F3N6O/c23-22(24,25)17-5-6-19(30-9-2-1-3-10-30)18(15-17)28-20(32)16-29-11-13-31(14-12-29)21-26-7-4-8-27-21/h4-8,15H,1-3,9-14,16H2,(H,28,32)/p+1