(2R)-4-(5-nitropyridin-2-yl)piperazin-1-ium-2-carboxylate

Systemtic Name: (2R)-4-(5-nitropyridin-2-yl)piperazin-1-ium-2-carboxylate Openeye Name: (2R)-4-(5-nitro-2-pyridyl)piperazin-1-ium-2-carboxylate CAS Name: (2R)-4-(5-nitro-2-pyridinyl)-2-piperazin-1-iumcarboxylate IUPAC Name: (2R)-4-(5-nitropyridin-2-yl)piperazin-1-ium-2-carboxylate Traditional Name: (2R)-4-(5-nitro-2-pyridyl)piperazin-1-ium-2-carboxylate Formula: C10H12N4O4 MolecularWeight: 252.22668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH2+]1)C(=O)[O-])C2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(C[C@@H]([NH2+]1)C(=O)[O-])C2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H12N4O4/c15-10(16)8-6-13(4-3-11-8)9-2-1-7(5-12-9)14(17)18/h1-2,5,8,11H,3-4,6H2,(H,15,16)/t8-/m1/s1