N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H18F6N5O+ MolecularWeight: 434.358839

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=NC=CC=N3

InChI

InChI=1S/C18H17F6N5O/c19-17(20,21)12-8-13(18(22,23)24)10-14(9-12)27-15(30)11-28-4-6-29(7-5-28)16-25-2-1-3-26-16/h1-3,8-10H,4-7,11H2,(H,27,30)/p+1