7-(diethylamino)-4-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]chromen-2-one iodide

Systemtic Name: 7-(diethylamino)-4-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]chromen-2-one iodide Openeye Name: 7-(diethylamino)-4-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]chromen-2-one iodide CAS Name: 7-(diethylamino)-4-methyl-3-[(4-methyl-4-morpholin-4-iumyl)methyl]-1-benzopyran-2-one iodide IUPAC Name: 7-(diethylamino)-4-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]chromen-2-one iodide Traditional Name: 7-(diethylamino)-4-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]coumarin iodide Formula: C20H29IN2O3 MolecularWeight: 472.36033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C[N+]3(CCOCC3)C)C.[I-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C[N+]3(CCOCC3)C)C.[I-]

InChI

InChI=1S/C20H29N2O3.HI/c1-5-21(6-2)16-7-8-17-15(3)18(20(23)25-19(17)13-16)14-22(4)9-11-24-12-10-22;/h7-8,13H,5-6,9-12,14H2,1-4H3;1H/q+1;/p-1