3-(2-bromanylphenoxy)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(2-bromanylphenoxy)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(2-bromophenoxy)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(2-bromophenoxy)-7-hydroxy-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(2-bromophenoxy)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(2-bromophenoxy)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C21H18BrF3NO4+ MolecularWeight: 485.27113

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)O

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)O

InChI

InChI=1S/C21H17BrF3NO4/c22-14-5-1-2-6-16(14)29-19-17(28)12-7-8-15(27)13(11-26-9-3-4-10-26)18(12)30-20(19)21(23,24)25/h1-2,5-8,27H,3-4,9-11H2/p+1