2-(4-nitrophenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-nitrophenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-nitrophenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(4-nitrophenyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-nitrophenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-nitrophenyl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C17H19N4O3+ MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3/c22-17(13-14-4-6-15(7-5-14)21(23)24)20-11-9-19(10-12-20)16-3-1-2-8-18-16/h1-8H,9-13H2/p+1