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

Systemtic Name: 3,3-bis(morpholin-4-ium-4-ylmethyl)-6-nitro-2H-chromen-4-one Openeye Name: 3,3-bis(morpholin-4-ium-4-ylmethyl)-6-nitro-chroman-4-one CAS Name: 3,3-bis(4-morpholin-4-iumylmethyl)-6-nitro-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 3,3-bis(morpholin-4-ium-4-ylmethyl)-6-nitro-2H-chromen-4-one Traditional Name: 3,3-bis(morpholin-4-ium-4-ylmethyl)-6-nitro-chroman-4-one Formula: C19H27N3O6+2 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2(COC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C[NH+]4CCOCC4

Isomeric SMILES

C1COCC[NH+]1CC2(COC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C[NH+]4CCOCC4

InChI

InChI=1S/C19H25N3O6/c23-18-16-11-15(22(24)25)1-2-17(16)28-14-19(18,12-20-3-7-26-8-4-20)13-21-5-9-27-10-6-21/h1-2,11H,3-10,12-14H2/p+2