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

Systemtic Name: 3-(4-methoxyphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(trifluoromethyl)chromone Formula: C23H25F3N2O5+2 MolecularWeight: 466.45021

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)OC)C(F)(F)F)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)OC)C(F)(F)F)O

InChI

InChI=1S/C23H23F3N2O5/c1-27-9-11-28(12-10-27)13-17-18(29)8-7-16-19(30)21(22(23(24,25)26)33-20(16)17)32-15-5-3-14(31-2)4-6-15/h3-8,29H,9-13H2,1-2H3/p+2