8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(4-methoxyphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(4-methoxyphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-3-(4-methoxyphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C24H25F3N2O5 MolecularWeight: 478.46091

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)OC)C(F)(F)F)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)OC)C(F)(F)F)[O-]

InChI

InChI=1S/C24H25F3N2O5/c1-3-28-10-12-29(13-11-28)14-18-19(30)9-8-17-20(31)22(23(24(25,26)27)34-21(17)18)33-16-6-4-15(32-2)5-7-16/h4-9,30H,3,10-14H2,1-2H3