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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(trifluoromethyl)chromone Formula: C24H26F3N2O5+ MolecularWeight: 479.46885

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=C(C=C4)OC)OC)C(F)(F)F)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=C(C=C4)OC)OC)C(F)(F)F)O

InChI

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