2-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C21H25N2O5+ MolecularWeight: 385.4336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NCC[NH+]4CCOCC4)C

Isomeric SMILES

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NCC[NH+]4CCOCC4)C

InChI

InChI=1S/C21H24N2O5/c1-13-12-27-18-11-19-16(9-15(13)18)14(2)17(21(25)28-19)10-20(24)22-3-4-23-5-7-26-8-6-23/h9,11-12H,3-8,10H2,1-2H3,(H,22,24)/p+1