(1S,2S)-2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]carbonylcyclobutane-1-carboxylate

Systemtic Name: (1S,2S)-2-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]carbonylcyclobutane-1-carboxylate Openeye Name: (1S,2S)-2-[4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbonyl]cyclobutanecarboxylate CAS Name: (1S,2S)-2-[[4-(5-nitro-2-pyridin-1-iumyl)-1-piperazinyl]-oxomethyl]-1-cyclobutanecarboxylate IUPAC Name: (1S,2S)-2-[4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbonyl]cyclobutane-1-carboxylate Traditional Name: (1S,2S)-2-[4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbonyl]cyclobutanecarboxylate Formula: C15H18N4O5 MolecularWeight: 334.32722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H]([C@H]1C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H18N4O5/c20-14(11-2-3-12(11)15(21)22)18-7-5-17(6-8-18)13-4-1-10(9-16-13)19(23)24/h1,4,9,11-12H,2-3,5-8H2,(H,21,22)/t11-,12-/m0/s1