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

Systemtic Name: 3-(2-ethoxyphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(trifluoromethyl)chromone Formula: C24H27F3N2O5+2 MolecularWeight: 480.47679

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)C)O)C(F)(F)F

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)C)O)C(F)(F)F

InChI

InChI=1S/C24H25F3N2O5/c1-3-32-18-6-4-5-7-19(18)33-22-20(31)15-8-9-17(30)16(14-29-12-10-28(2)11-13-29)21(15)34-23(22)24(25,26)27/h4-9,30H,3,10-14H2,1-2H3/p+2