4-[(4aR)-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium

Systemtic Name: 4-[(4aR)-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium Openeye Name: 4-[(4aR)-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium CAS Name: 4-[(4aR)-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium IUPAC Name: 4-[(4aR)-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium Traditional Name: 4-[(4aR)-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(=CC3=C(O2)C(=CC=C3)[N+](=O)[O-])C1)[NH+]4CCOCC4

Isomeric SMILES

C1CC[C@@]2(C(=CC3=C(O2)C(=CC=C3)[N+](=O)[O-])C1)[NH+]4CCOCC4

InChI

InChI=1S/C17H20N2O4/c20-19(21)15-6-3-4-13-12-14-5-1-2-7-17(14,23-16(13)15)18-8-10-22-11-9-18/h3-4,6,12H,1-2,5,7-11H2/p+1/t17-/m1/s1