ethyl 2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(5-nitro-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C13H20N4O4+2 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O4/c1-2-21-13(18)10-15-5-7-16(8-6-15)12-4-3-11(9-14-12)17(19)20/h3-4,9H,2,5-8,10H2,1H3/p+2