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

Systemtic Name: 3-(2-bromanylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(2-bromophenoxy)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(2-bromophenoxy)-7-hydroxy-8-(4-morpholin-4-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(2-bromophenoxy)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(2-bromophenoxy)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromone Formula: C21H18BrF3NO5+ MolecularWeight: 501.27053

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)O

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)O

InChI

InChI=1S/C21H17BrF3NO5/c22-14-3-1-2-4-16(14)30-19-17(28)12-5-6-15(27)13(11-26-7-9-29-10-8-26)18(12)31-20(19)21(23,24)25/h1-6,27H,7-11H2/p+1