8-methoxy-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-2-oxidanylidene-chromene-3-carbothioamide iodide

Systemtic Name: 8-methoxy-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-2-oxidanylidene-chromene-3-carbothioamide iodide Openeye Name: 8-methoxy-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-2-oxo-chromene-3-carbothioamide iodide CAS Name: 8-methoxy-N-[2-(4-methyl-4-morpholin-4-iumyl)ethyl]-2-oxo-1-benzopyran-3-carbothioamide iodide IUPAC Name: 8-methoxy-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-2-oxochromene-3-carbothioamide iodide Traditional Name: 2-keto-8-methoxy-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]chromene-3-carbothioamide iodide Formula: C18H23IN2O4S MolecularWeight: 490.35569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCNC(=S)C2=CC3=C(C(=CC=C3)OC)OC2=O.[I-]

Isomeric SMILES

C[N+]1(CCOCC1)CCNC(=S)C2=CC3=C(C(=CC=C3)OC)OC2=O.[I-]

InChI

InChI=1S/C18H22N2O4S.HI/c1-20(8-10-23-11-9-20)7-6-19-17(25)14-12-13-4-3-5-15(22-2)16(13)24-18(14)21;/h3-5,12H,6-11H2,1-2H3;1H