N-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-chromen-2-yl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-chromen-2-yl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-chromen-2-yl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-1-benzopyran-2-yl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-2-yl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[3-(1,3-benzodioxol-5-yl)-4-keto-chromen-2-yl]-2-morpholin-4-ium-4-yl-acetamide Formula: C22H21N2O6+ MolecularWeight: 409.41194

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)NC2=C(C(=O)C3=CC=CC=C3O2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCC[NH+]1CC(=O)NC2=C(C(=O)C3=CC=CC=C3O2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N2O6/c25-19(12-24-7-9-27-10-8-24)23-22-20(14-5-6-17-18(11-14)29-13-28-17)21(26)15-3-1-2-4-16(15)30-22/h1-6,11H,7-10,12-13H2,(H,23,25)/p+1