(7S,8aS)-7-morpholin-4-ium-4-yl-3,6-bis(oxidanidyl)-4,5,7,8-tetrahydropyrrolo[2,3-g][2,1,3]benzoxadiazole-3,6-diium-8a-ol

Systemtic Name: (7S,8aS)-7-morpholin-4-ium-4-yl-3,6-bis(oxidanidyl)-4,5,7,8-tetrahydropyrrolo[2,3-g][2,1,3]benzoxadiazole-3,6-diium-8a-ol Openeye Name: (7S,8aS)-7-morpholin-4-ium-4-yl-3,6-dioxido-4,5,7,8-tetrahydropyrrolo[2,3-g][2,1,3]benzoxadiazole-3,6-diium-8a-ol CAS Name: (7S,8aS)-7-(4-morpholin-4-iumyl)-3,6-dioxido-4,5,7,8-tetrahydropyrrolo[2,3-g][2,1,3]benzoxadiazole-3,6-diium-8a-ol IUPAC Name: (7S,8aS)-7-morpholin-4-ium-4-yl-3,6-dioxido-4,5,7,8-tetrahydropyrrolo[2,3-g][2,1,3]benzoxadiazole-3,6-diium-8a-ol Traditional Name: (7S,8aS)-7-morpholin-4-ium-4-yl-3,6-dioxido-4,5,7,8-tetrahydropyrrolo[2,3-g][2,1,3]benzoxadiazole-3,6-diium-8a-ol Formula: C12H17N4O5+ MolecularWeight: 297.28718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=[N+](C(CC2(C3=NO[N+](=C31)[O-])O)[NH+]4CCOCC4)[O-]

Isomeric SMILES

C1CC2=[N+]([C@@H](C[C@@]2(C3=NO[N+](=C31)[O-])O)[NH+]4CCOCC4)[O-]

InChI

InChI=1S/C12H16N4O5/c17-12-7-10(14-3-5-20-6-4-14)15(18)9(12)2-1-8-11(12)13-21-16(8)19/h10,17H,1-7H2/p+1/t10-,12+/m0/s1