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

Systemtic Name: 8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(2-isopropylphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(2-isopropylphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(trifluoromethyl)chromone Formula: C25H29F3N2O4+2 MolecularWeight: 478.50397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)C)O)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)C)O)C(F)(F)F

InChI

InChI=1S/C25H27F3N2O4/c1-15(2)16-6-4-5-7-20(16)33-23-21(32)17-8-9-19(31)18(14-30-12-10-29(3)11-13-30)22(17)34-24(23)25(26,27)28/h4-9,15,31H,10-14H2,1-3H3/p+2