1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[2,4,5-tris(chloranyl)phenoxy]ethanone

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[2,4,5-tris(chloranyl)phenoxy]ethanone Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(2,4,5-trichlorophenoxy)ethanone CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-(2,4,5-trichlorophenoxy)ethanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(2,4,5-trichlorophenoxy)ethanone Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-2-(2,4,5-trichlorophenoxy)ethanone Formula: C17H17Cl3N3O2+ MolecularWeight: 401.69478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC3=CC(=C(C=C3Cl)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC3=CC(=C(C=C3Cl)Cl)Cl

InChI

InChI=1S/C17H16Cl3N3O2/c18-12-9-14(20)15(10-13(12)19)25-11-17(24)23-7-5-22(6-8-23)16-3-1-2-4-21-16/h1-4,9-10H,5-8,11H2/p+1