2-(4-bromanyl-2-chloranyl-phenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-bromo-2-chloro-phenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-(4-bromo-2-chlorophenoxy)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C17H18BrClN3O2+ MolecularWeight: 411.70072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)COC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)COC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C17H17BrClN3O2/c18-13-1-2-16(15(19)11-13)24-12-17(23)22-9-7-21(8-10-22)14-3-5-20-6-4-14/h1-6,11H,7-10,12H2/p+1