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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)CC)O)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)CC)O)C(F)(F)F

InChI

InChI=1S/C25H27F3N2O4/c1-3-16-5-7-17(8-6-16)33-23-21(32)18-9-10-20(31)19(22(18)34-24(23)25(26,27)28)15-30-13-11-29(4-2)12-14-30/h5-10,31H,3-4,11-15H2,1-2H3/p+2