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

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2,4,5-tris(chloranyl)phenyl]ethanamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2,4,5-trichlorophenyl)acetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-(2,4,5-trichlorophenyl)acetamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2,4,5-trichlorophenyl)acetamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2,4,5-trichlorophenyl)acetamide Formula: C17H19Cl3N4O+2 MolecularWeight: 401.71796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H17Cl3N4O/c18-12-9-14(20)15(10-13(12)19)22-17(25)11-23-5-7-24(8-6-23)16-3-1-2-4-21-16/h1-4,9-10H,5-8,11H2,(H,22,25)/p+2