4-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium

Systemtic Name: 4-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium Openeye Name: 4-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium CAS Name: 4-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium IUPAC Name: 4-[(4aS)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium Traditional Name: 4-[(4aS)-7-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)15-4-5-16-13(12-15)11-14-3-1-2-6-17(14,23-16)18-7-9-22-10-8-18/h4-5,11-12H,1-3,6-10H2/p+1/t17-/m0/s1