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

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]acetamide Formula: C21H26F3N6O+ MolecularWeight: 435.46595

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H25F3N6O/c22-21(23,24)16-4-5-18(29-8-1-2-9-29)17(14-16)27-19(31)15-28-10-12-30(13-11-28)20-25-6-3-7-26-20/h3-7,14H,1-2,8-13,15H2,(H,27,31)/p+1