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

Systemtic Name: 3-(3-methylphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(3-methylphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(3-methylphenoxy)-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(3-methylphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(3-methylphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(trifluoromethyl)chromone Formula: C23H25F3N2O4+2 MolecularWeight: 450.45081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)C)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)C)O)C(F)(F)F

InChI

InChI=1S/C23H23F3N2O4/c1-14-4-3-5-15(12-14)31-21-19(30)16-6-7-18(29)17(13-28-10-8-27(2)9-11-28)20(16)32-22(21)23(24,25)26/h3-7,12,29H,8-11,13H2,1-2H3/p+2