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

Systemtic Name: 8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C28H25F3N2O4 MolecularWeight: 510.50431

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)[O-]

InChI

InChI=1S/C28H25F3N2O4/c1-32-13-15-33(16-14-32)17-22-23(34)12-11-21-24(35)26(27(28(29,30)31)37-25(21)22)36-20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-12,34H,13-17H2,1H3