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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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