8-bromanyl-3,3-bis(morpholin-4-ium-4-ylmethyl)-6-nitro-2H-chromen-4-one

Systemtic Name: 8-bromanyl-3,3-bis(morpholin-4-ium-4-ylmethyl)-6-nitro-2H-chromen-4-one Openeye Name: 8-bromo-3,3-bis(morpholin-4-ium-4-ylmethyl)-6-nitro-chroman-4-one CAS Name: 8-bromo-3,3-bis(4-morpholin-4-iumylmethyl)-6-nitro-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 8-bromo-3,3-bis(morpholin-4-ium-4-ylmethyl)-6-nitro-2H-chromen-4-one Traditional Name: 8-bromo-3,3-bis(morpholin-4-ium-4-ylmethyl)-6-nitro-chroman-4-one Formula: C19H26BrN3O6+2 MolecularWeight: 472.33024

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2(COC3=C(C=C(C=C3C2=O)[N+](=O)[O-])Br)C[NH+]4CCOCC4

Isomeric SMILES

C1COCC[NH+]1CC2(COC3=C(C=C(C=C3C2=O)[N+](=O)[O-])Br)C[NH+]4CCOCC4

InChI

InChI=1S/C19H24BrN3O6/c20-16-10-14(23(25)26)9-15-17(16)29-13-19(18(15)24,11-21-1-5-27-6-2-21)12-22-3-7-28-8-4-22/h9-10H,1-8,11-13H2/p+2