3-(3-methylphenoxy)-7-(3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy)chromen-4-one

Systemtic Name: 3-(3-methylphenoxy)-7-(3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy)chromen-4-one Openeye Name: 7-(2-hydroxy-3-morpholin-4-ium-4-yl-propoxy)-3-(3-methylphenoxy)chromen-4-one CAS Name: 7-[2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-(3-methylphenoxy)-1-benzopyran-4-one IUPAC Name: 7-(2-hydroxy-3-morpholin-4-ium-4-ylpropoxy)-3-(3-methylphenoxy)chromen-4-one Traditional Name: 7-(2-hydroxy-3-morpholin-4-ium-4-yl-propoxy)-3-(3-methylphenoxy)chromone Formula: C23H26NO6+ MolecularWeight: 412.45564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(C[NH+]4CCOCC4)O

Isomeric SMILES

CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(C[NH+]4CCOCC4)O

InChI

InChI=1S/C23H25NO6/c1-16-3-2-4-19(11-16)30-22-15-29-21-12-18(5-6-20(21)23(22)26)28-14-17(25)13-24-7-9-27-10-8-24/h2-6,11-12,15,17,25H,7-10,13-14H2,1H3/p+1