2-(3-bromanylphenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3-bromanylphenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3-bromophenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-(3-bromophenoxy)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-bromophenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-(3-bromophenoxy)-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C17H19BrN3O2+ MolecularWeight: 377.25566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O2/c18-14-2-1-3-16(12-14)23-13-17(22)21-10-8-20(9-11-21)15-4-6-19-7-5-15/h1-7,12H,8-11,13H2/p+1