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

Systemtic Name: 2-(3-nitrophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3-nitrophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(3-nitrophenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-nitrophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(3-nitrophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C17H19N4O4+ MolecularWeight: 343.35716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4/c22-17(13-25-15-5-3-4-14(12-15)21(23)24)20-10-8-19(9-11-20)16-6-1-2-7-18-16/h1-7,12H,8-11,13H2/p+1