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

Systemtic Name: propyl 4-[8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C26H28F3N2O6+ MolecularWeight: 521.50553

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CC[NH+](CC4)C)O)C(F)(F)F

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CC[NH+](CC4)C)O)C(F)(F)F

InChI

InChI=1S/C26H27F3N2O6/c1-3-14-35-25(34)16-4-6-17(7-5-16)36-23-21(33)18-8-9-20(32)19(15-31-12-10-30(2)11-13-31)22(18)37-24(23)26(27,28)29/h4-9,32H,3,10-15H2,1-2H3/p+1