3-(4-tert-butylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(4-tert-butylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-(4-morpholin-4-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-tert-butylphenoxy)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromone Formula: C25H27F3NO5+ MolecularWeight: 478.48079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)O)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)O)C(F)(F)F

InChI

InChI=1S/C25H26F3NO5/c1-24(2,3)15-4-6-16(7-5-15)33-22-20(31)17-8-9-19(30)18(14-29-10-12-32-13-11-29)21(17)34-23(22)25(26,27)28/h4-9,30H,10-14H2,1-3H3/p+1