4-(2-Amino-3-cyano-5-oxo-4,5-dihydropyrano[3,2-c] chromen-4-yl)-1-(2-fluorobenzyl)pyridinium chloride

SpectraBase Compound ID	JMM7tZUX4Ot
InChI	InChI=1S/C25H17FN3O3.ClH/c26-19-7-3-1-5-16(19)14-29-11-9-15(10-12-29)21-18(13-27)24(28)32-23-17-6-2-4-8-20(17)31-25(30)22(21)23;/h1-12,21H,14,28H2;1H/q+1;/p-1
InChIKey	HBQXRADLWTVSGZ-UHFFFAOYSA-M Google Search
Mol Weight	461.88 g/mol
Molecular Formula	C25H17ClFN3O3
Exact Mass	461.094247 g/mol

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SpectraBase Spectrum ID	DaCP7OhE79W
Name	4-(2-Amino-3-cyano-5-oxo-4,5-dihydropyrano[3,2-c] chromen-4-yl)-1-(2-fluorobenzyl)pyridinium chloride
Alternate Name(s)	4-(2-amino-3-cyano-5-oxo-4,5-dihydropyrano[3,2-c]chromen-4-yl)-1-(2-fluorobenzyl)pyridin-1-ium chloride 2-Amino-4-[1-[(2-fluorophenyl)methyl]-4-pyridin-1-iumyl]-5-oxo-4H-pyrano[3,2-c][1]benzopyran-3-carbonitrile;chloride 2-Amino-4-[1-[(2-fluorophenyl)methyl]pyridin-1-ium-4-yl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;chloride 2-Azanyl-4-[1-[(2-fluorophenyl)methyl]pyridin-1-ium-4-yl]-5-oxidanylidene-4H-pyrano[3,2-c]chromene-3-carbonitrile;chloride
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H17ClFN3O3
InChI	InChI=1S/C25H17FN3O3.ClH/c26-19-7-3-1-5-16(19)14-29-11-9-15(10-12-29)21-18(13-27)24(28)32-23-17-6-2-4-8-20(17)31-25(30)22(21)23;/h1-12,21H,14,28H2;1H/q+1;/p-1
InChIKey	HBQXRADLWTVSGZ-UHFFFAOYSA-M
Molecular Weight	461.880 g/mol
SMILES	[Cl-].NC1=C(C(c2cc[n+](cc2)Cc2c(cccc2)F)C=2C(Oc3ccccc3C2O1)=O)C#N
SPLASH	splash10-0c0r-3902000000-dafd1e9cde7e6791b1a0
Source of Spectrum	EMC-68-267-6a
Wiley ID	1755193