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

Systemtic Name: methyl 4-[8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Openeye Name: methyl 4-[7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid methyl ester Formula: C24H24F3N2O6+ MolecularWeight: 493.45237

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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)C(=O)OC)C(F)(F)F)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)C(F)(F)F)O

InChI

InChI=1S/C24H23F3N2O6/c1-28-9-11-29(12-10-28)13-17-18(30)8-7-16-19(31)21(22(24(25,26)27)35-20(16)17)34-15-5-3-14(4-6-15)23(32)33-2/h3-8,30H,9-13H2,1-2H3/p+1