3-(4-methoxyphenoxy)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(4-methoxyphenoxy)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(trifluoromethyl)chromone Formula: C23H24F3N2O5+ MolecularWeight: 465.44227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(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+1