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

Systemtic Name: methyl 4-[7-oxidanyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Openeye Name: methyl 4-[7-hydroxy-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-4-oxo-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[7-hydroxy-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid methyl ester Formula: C24H23F3NO6+ MolecularWeight: 478.43773

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)O)C(F)(F)F

InChI

InChI=1S/C24H22F3NO6/c1-32-23(31)14-5-7-15(8-6-14)33-21-19(30)16-9-10-18(29)17(13-28-11-3-2-4-12-28)20(16)34-22(21)24(25,26)27/h5-10,29H,2-4,11-13H2,1H3/p+1