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

Systemtic Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-3-phenyl-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4-oxo-3-phenyl-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-3-phenyl-2-(trifluoromethyl)chromen-7-olate Formula: C23H23F3N2O3 MolecularWeight: 432.43553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23F3N2O3/c1-2-27-10-12-28(13-11-27)14-17-18(29)9-8-16-20(30)19(15-6-4-3-5-7-15)22(23(24,25)26)31-21(16)17/h3-9,29H,2,10-14H2,1H3