N-[2,6-bis(fluoranyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2,6-bis(fluoranyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,6-difluorophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,6-difluorophenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C16H18F2N5O+ MolecularWeight: 334.343826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC=C2F)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC=C2F)F)C3=NC=CC=N3

InChI

InChI=1S/C16H17F2N5O/c17-12-3-1-4-13(18)15(12)21-14(24)11-22-7-9-23(10-8-22)16-19-5-2-6-20-16/h1-6H,7-11H2,(H,21,24)/p+1