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

Systemtic Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(3-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C24H25F3N2O4 MolecularWeight: 462.46151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25F3N2O4/c1-3-28-9-11-29(12-10-28)14-18-19(30)8-7-17-20(31)22(23(24(25,26)27)33-21(17)18)32-16-6-4-5-15(2)13-16/h4-8,13,30H,3,9-12,14H2,1-2H3