2-[2,3-bis(chloranyl)phenoxy]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[2,3-bis(chloranyl)phenoxy]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2,3-dichlorophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(2,3-dichlorophenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dichlorophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2,3-dichlorophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C17H18Cl2N3O2+ MolecularWeight: 367.24972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C17H17Cl2N3O2/c18-13-4-3-5-14(17(13)19)24-12-16(23)22-10-8-21(9-11-22)15-6-1-2-7-20-15/h1-7H,8-12H2/p+1