3-(2-bromanylphenoxy)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(2-bromanylphenoxy)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(2-bromophenoxy)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(2-bromophenoxy)-8-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(2-bromophenoxy)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(2-bromophenoxy)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromone Formula: C23H24BrF3N2O4+2 MolecularWeight: 529.34687

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)O

InChI

InChI=1S/C23H22BrF3N2O4/c1-2-28-9-11-29(12-10-28)13-15-17(30)8-7-14-19(31)21(22(23(25,26)27)33-20(14)15)32-18-6-4-3-5-16(18)24/h3-8,30H,2,9-13H2,1H3/p+2