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

Systemtic Name: 3-(2-ethoxyphenoxy)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(2-ethoxyphenoxy)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(2-ethoxyphenoxy)-8-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(2-ethoxyphenoxy)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(2-ethoxyphenoxy)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromone Formula: C25H29F3N2O5+2 MolecularWeight: 494.50337

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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=C4OCC)C(F)(F)F)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4OCC)C(F)(F)F)O

InChI

InChI=1S/C25H27F3N2O5/c1-3-29-11-13-30(14-12-29)15-17-18(31)10-9-16-21(32)23(24(25(26,27)28)35-22(16)17)34-20-8-6-5-7-19(20)33-4-2/h5-10,31H,3-4,11-15H2,1-2H3/p+2