2-{4'-[(3"-Methoxypropoxy)-3'-methyl-1'-oxidopyridin-2'-yl]methylsulfanyl}-1H-benzoimidazole

SpectraBase Compound ID	FWzsOFnDkHV
InChI	InChI=1S/C18H21N3O3S/c1-13-16(21(22)9-8-17(13)24-11-5-10-23-2)12-25-18-19-14-6-3-4-7-15(14)20-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,19,20)
InChIKey	CGSOUPMFBQXHAH-UHFFFAOYSA-N Google Search
Mol Weight	359.44 g/mol
Molecular Formula	C18H21N3O3S
Exact Mass	359.130363 g/mol

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SpectraBase Spectrum ID	JsCdnkMvwAm
Name	2-{4'-[(3"-Methoxypropoxy)-3'-methyl-1'-oxidopyridin-2'-yl]methylsulfanyl}-1H-benzoimidazole
Alternate Name(s)	2-[[4-(3-methoxypropoxy)-3-methyl-1-oxido-2-pyridin-1-iumyl]methylthio]-1H-benzimidazole 2-[[4-(3-methoxypropoxy)-3-methyl-1-oxidopyridin-1-ium-2-yl]methylsulfanyl]-1H-benzimidazole 2-[[4-(3-methoxypropoxy)-3-methyl-1-oxido-pyridin-1-ium-2-yl]methylsulfanyl]-1H-benzimidazole 2-[[4-(3-methoxypropoxy)-3-methyl-1-oxidanidyl-pyridin-1-ium-2-yl]methylsulfanyl]-1H-benzimidazole
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H21N3O3S
InChI	InChI=1S/C18H21N3O3S/c1-13-16(21(22)9-8-17(13)24-11-5-10-23-2)12-25-18-19-14-6-3-4-7-15(14)20-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,19,20)
InChIKey	CGSOUPMFBQXHAH-UHFFFAOYSA-N
Molecular Weight	359.444 g/mol
SMILES	[nH]1c2ccccc2nc1SCc1[n+](ccc(OCCCOC)c1C)[O-]
SPLASH	splash10-0a4i-0009000000-f3c5023359ee0b45f7d0
Source of Spectrum	AJ-43-1452-13
Wiley ID	1594345