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

Systemtic Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-3-(2-isopropylphenoxy)-2-(trifluoromethyl)chromen-4-one CAS Name: 8-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-7-hydroxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-3-(2-isopropylphenoxy)-2-(trifluoromethyl)chromone Formula: C26H31F3N2O4+2 MolecularWeight: 492.53055

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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=CC=C4C(C)C)C(F)(F)F)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4C(C)C)C(F)(F)F)O

InChI

InChI=1S/C26H29F3N2O4/c1-4-30-11-13-31(14-12-30)15-19-20(32)10-9-18-22(33)24(25(26(27,28)29)35-23(18)19)34-21-8-6-5-7-17(21)16(2)3/h5-10,16,32H,4,11-15H2,1-3H3/p+2