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

Systemtic Name: 3-(4-bromophenyl)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-bromophenyl)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-bromophenyl)-7-hydroxy-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-bromophenyl)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-bromophenyl)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C21H18BrF3NO3+ MolecularWeight: 469.27173

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Br)C(F)(F)F)O

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Br)C(F)(F)F)O

InChI

InChI=1S/C21H17BrF3NO3/c22-13-5-3-12(4-6-13)17-18(28)14-7-8-16(27)15(11-26-9-1-2-10-26)19(14)29-20(17)21(23,24)25/h3-8,27H,1-2,9-11H2/p+1