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

Systemtic Name: 8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromone Formula: C28H26F3N2O4+ MolecularWeight: 511.51225

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(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

C[NH+]1CCN(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/p+1