2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(3-nitro-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanol Formula: C11H18N4O3+2 MolecularWeight: 254.28562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O3/c16-9-8-13-4-6-14(7-5-13)11-10(15(17)18)2-1-3-12-11/h1-3,16H,4-9H2/p+2