(3R)-3-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]oxolan-2-one

Systemtic Name: (3R)-3-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]oxolan-2-one Openeye Name: (3R)-3-[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]tetrahydrofuran-2-one CAS Name: (3R)-3-[4-(6-nitro-3-pyridinyl)-1-piperazin-1-iumyl]-2-oxolanone IUPAC Name: (3R)-3-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]oxolan-2-one Traditional Name: (3R)-3-[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]tetrahydrofuran-2-one Formula: C13H17N4O4+ MolecularWeight: 293.29848

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1[NH+]2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC(=O)[C@@H]1[NH+]2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4/c18-13-11(3-8-21-13)16-6-4-15(5-7-16)10-1-2-12(14-9-10)17(19)20/h1-2,9,11H,3-8H2/p+1/t11-/m1/s1