5-[(4-nitro-1-oxidanidyl-pyridin-1-ium-3-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: 5-[(4-nitro-1-oxidanidyl-pyridin-1-ium-3-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: 5-[(4-nitro-1-oxido-pyridin-1-ium-3-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 5-[(4-nitro-1-oxido-3-pyridin-1-iumyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate IUPAC Name: 5-[(4-nitro-1-oxidopyridin-1-ium-3-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 5-[(4-nitro-1-oxido-pyridin-1-ium-3-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate Formula: C13H15N4O5- MolecularWeight: 307.282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC(C1)(N2C(=O)[O-])NC3=C(C=C[N+](=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC2CCC(C1)(N2C(=O)[O-])NC3=C(C=C[N+](=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O5/c18-12(19)16-9-2-1-5-13(16,6-3-9)14-10-8-15(20)7-4-11(10)17(21)22/h4,7-9,14H,1-3,5-6H2,(H,18,19)/p-1