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

Systemtic Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one CAS Name: 8-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromone Formula: C29H29F3N2O4+2 MolecularWeight: 526.54677

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)O

InChI

InChI=1S/C29H27F3N2O4/c1-2-33-14-16-34(17-15-33)18-23-24(35)13-12-22-25(36)27(28(29(30,31)32)38-26(22)23)37-21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-13,35H,2,14-18H2,1H3/p+2