3-(4-chlorophenyl)-8-(diethylaminomethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one bromide

Systemtic Name: 3-(4-chlorophenyl)-8-(diethylaminomethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one bromide Openeye Name: 3-(4-chlorophenyl)-8-(diethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one bromide CAS Name: 3-(4-chlorophenyl)-8-(diethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one bromide IUPAC Name: 3-(4-chlorophenyl)-8-(diethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one bromide Traditional Name: 3-(4-chlorophenyl)-8-(diethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromone bromide Formula: C21H19BrClF3NO3- MolecularWeight: 505.73267

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)O.[Br-]

Isomeric SMILES

CCN(CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)O.[Br-]

InChI

InChI=1S/C21H19ClF3NO3.BrH/c1-3-26(4-2)11-15-16(27)10-9-14-18(28)17(12-5-7-13(22)8-6-12)20(21(23,24)25)29-19(14)15;/h5-10,27H,3-4,11H2,1-2H3;1H/p-1