3-(2,5-dimethylphenoxy)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(2,5-dimethylphenoxy)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(2,5-dimethylphenoxy)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(2,5-dimethylphenoxy)-8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(2,5-dimethylphenoxy)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(2,5-dimethylphenoxy)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromone Formula: C25H28F3N2O4+ MolecularWeight: 477.49603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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