2-Methoxy-6-{[1-methyl-2-(4-phenethyl-1-piperazinyl)ethyl]amino}benzothiazole, oxalate (1:2)

SpectraBase Compound ID	3i28aJbOWIV
InChI	InChI=1S/C23H30N4OS.2C2H2O4/c1-18(24-20-8-9-21-22(16-20)29-23(25-21)28-2)17-27-14-12-26(13-15-27)11-10-19-6-4-3-5-7-19;23-1(4)2(5)6/h3-9,16,18,24H,10-15,17H2,1-2H3;2(H,3,4)(H,5,6)
InChIKey	TWHLVJARDSJMHY-UHFFFAOYSA-N Google Search
Mol Weight	590.65 g/mol
Molecular Formula	C27H34N4O9S
Exact Mass	590.20465 g/mol

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SpectraBase Spectrum ID	6Wb0KuD3KGx
Name	2-Methoxy-6-{[1-methyl-2-(4-phenethyl-1-piperazinyl)ethyl]amino}benzothiazole, oxalate (1:2)
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	590.204649856 u
Formula	C27H34N4O9S
InChI	InChI=1S/C23H30N4OS.2C2H2O4/c1-18(24-20-8-9-21-22(16-20)29-23(25-21)28-2)17-27-14-12-26(13-15-27)11-10-19-6-4-3-5-7-19;23-1(4)2(5)6/h3-9,16,18,24H,10-15,17H2,1-2H3;2(H,3,4)(H,5,6)
InChIKey	TWHLVJARDSJMHY-UHFFFAOYSA-N
Molecular Weight	590.648 g/mol
SMILES	OC(C(O)=O)=O.CC(CN1CCN(CC1)CCC=1C=CC=CC1)NC=1C=CC=2N=C(OC)SC2C1.OC(C(O)=O)=O