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

Systemtic Name: 8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-8-(4-morpholin-4-iumylmethyl)-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromone Formula: C27H23F3NO5+ MolecularWeight: 498.47043

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)O

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)O

InChI

InChI=1S/C27H22F3NO5/c28-27(29,30)26-25(35-19-8-6-18(7-9-19)17-4-2-1-3-5-17)23(33)20-10-11-22(32)21(24(20)36-26)16-31-12-14-34-15-13-31/h1-11,32H,12-16H2/p+1