3-Methoxy-2-{[(2'-(3'",4'"-dimethoxyphenyl)ethyl)amino]methylene}-5-( 1H-pyrrol-2"-yl)-2H-pyrrolium acetate

SpectraBase Compound ID	AlplKFffBSx
InChI	InChI=1S/C20H23N3O3.C2H4O2/c1-24-18-7-6-14(11-20(18)26-3)8-10-21-13-17-19(25-2)12-16(23-17)15-5-4-9-22-15;1-2(3)4/h4-7,9,11-13,21-22H,8,10H2,1-3H3;1H3,(H,3,4)/b17-13+;
InChIKey	OPPFCPPWDXSHHK-IWSIBTJSSA-N Google Search
Mol Weight	413.47 g/mol
Molecular Formula	C22H27N3O5
Exact Mass	413.195071 g/mol

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SpectraBase Spectrum ID	4JT9gkzFoeU
Name	3-Methoxy-2-{[(2'-(3'",4'"-dimethoxyphenyl)ethyl)amino]methylene}-5-( 1H-pyrrol-2"-yl)-2H-pyrrolium acetate
Alternate Name(s)	(2E)-2-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylene)-3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrolium acetate 3-Methoxy-2-{[(2'-(3''',4'''-dimethoxyphenyl)ethyl)amino]methylene}-5-(1H-pyrrol-2''-yl)-2H-pyrrolium acetate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H27N3O5
InChI	InChI=1S/C20H23N3O3.C2H4O2/c1-24-18-7-6-14(11-20(18)26-3)8-10-21-13-17-19(25-2)12-16(23-17)15-5-4-9-22-15;1-2(3)4/h4-7,9,11-13,21-22H,8,10H2,1-3H3;1H3,(H,3,4)/b17-13+;
InChIKey	OPPFCPPWDXSHHK-IWSIBTJSSA-N
Molecular Weight	413.474 g/mol
SMILES	C([O-])(=O)C.[NH+]1=C(C=C(\C1=C\NCCc1cc(OC)c(cc1)OC)OC)c1[nH]ccc1
SPLASH	splash10-0udi-0009000000-7d73f5e2705cac0902e0
Source of Spectrum	B-54-358-26
Wiley ID	811039