3-(3,4-dimethoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(4-morpholin-4-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromone Formula: C23H23F3NO6+ MolecularWeight: 466.42703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)O)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)O)C(F)(F)F)OC

InChI

InChI=1S/C23H22F3NO6/c1-30-17-6-3-13(11-18(17)31-2)19-20(29)14-4-5-16(28)15(12-27-7-9-32-10-8-27)21(14)33-22(19)23(24,25)26/h3-6,11,28H,7-10,12H2,1-2H3/p+1