2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[2,4,5-tris(chloranyl)phenyl]ethanamide

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[2,4,5-tris(chloranyl)phenyl]ethanamide Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2,4,5-trichlorophenyl)acetamide CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-(2,4,5-trichlorophenyl)acetamide IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2,4,5-trichlorophenyl)acetamide Traditional Name: 2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-(2,4,5-trichlorophenyl)acetamide Formula: C16H17Cl3N5O+ MolecularWeight: 401.69808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)C3=NC=CC=N3

InChI

InChI=1S/C16H16Cl3N5O/c17-11-8-13(19)14(9-12(11)18)22-15(25)10-23-4-6-24(7-5-23)16-20-2-1-3-21-16/h1-3,8-9H,4-7,10H2,(H,22,25)/p+1