4-(1-azabicyclo[2.2.2]octan-3-yl)-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione dihydrate

Systemtic Name: 4-(1-azabicyclo[2.2.2]octan-3-yl)-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione dihydrate Openeye Name: 6-imidazol-1-yl-7-nitro-4-quinuclidin-3-yl-1H-quinoxaline-2,3-dione dihydrate CAS Name: 4-(1-azabicyclo[2.2.2]octan-3-yl)-6-(1-imidazolyl)-7-nitro-1H-quinoxaline-2,3-dione dihydrate IUPAC Name: 4-(1-azabicyclo[2.2.2]octan-3-yl)-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione dihydrate Traditional Name: 6-imidazol-1-yl-7-nitro-4-quinuclidin-3-yl-1H-quinoxaline-2,3-quinone dihydrate Formula: C18H22N6O6 MolecularWeight: 418.40388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)N3C4=CC(=C(C=C4NC(=O)C3=O)[N+](=O)[O-])N5C=CN=C5.O.O

Isomeric SMILES

C1CN2CCC1C(C2)N3C4=CC(=C(C=C4NC(=O)C3=O)[N+](=O)[O-])N5C=CN=C5.O.O

InChI

InChI=1S/C18H18N6O4.2H2O/c25-17-18(26)23(16-9-21-4-1-11(16)2-5-21)13-8-14(22-6-3-19-10-22)15(24(27)28)7-12(13)20-17;;/h3,6-8,10-11,16H,1-2,4-5,9H2,(H,20,25);2*1H2