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

Systemtic Name: 2-(2-chloranyl-4-nitro-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2-chloro-4-nitro-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(2-chloro-4-nitrophenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-chloro-4-nitrophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2-chloro-4-nitro-phenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C17H18ClN4O4+ MolecularWeight: 377.80222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O4/c18-14-11-13(22(24)25)4-5-15(14)26-12-17(23)21-9-7-20(8-10-21)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2/p+1