4-methylbenzenesulfonate;N-(1-methylquinolin-1-ium-6-yl)-4-[3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxopropyl]benzamide
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![4-methylbenzenesulfonate;N-(1-methylquinolin-1-ium-6-yl)-4-[3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxopropyl]benzamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/81d33f76a7e7483982a3699f822687ee.png "4-methylbenzenesulfonate;N-(1-methylquinolin-1-ium-6-yl)-4-[3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxopropyl]benzamide")
4-methylbenzenesulfonate;N-(1-methylquinolin-1-ium-6-yl)-4-[3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxopropyl]benzamide
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CAS No:
18519-58-9
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Formula:
C44H42N4O8S2
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Chemical Name:
4-methylbenzenesulfonate;N-(1-methylquinolin-1-ium-6-yl)-4-[3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxopropyl]benzamide
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Synonyms:
Quinolinium, 1-methyl-6-(p-((1-methylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonate;18519-58-9;Quinolinium, 6,6'-(alpha,p-phenethylenebis(carbonylimino))bis(1-methyl-, ditosylate;6,6'-(alpha,p-Phenethylenebis(carbonylimino))bis(1-methylquinolinium) ditosylate;CHEMBL3230601;DTXSID50171734;Quinolinium, 1-methyl-6-((3-(4-(((1-methylquinolinium-6-yl)amino)carbonyl)phenyl)-1-oxopropylamino)-, salt with 4-methylbenzenesulfonic acid (1:2)
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CAS No:
4-methylbenzenesulfonate;N-(1-methylquinolin-1-ium-6-yl)-4-[3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxopropyl]benzamide Basic Attributes
819.0 g/mol
818.24440666 g/mol
DTXSID50171734
Computed Properties
Molecular Weight:819.0
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:818.24440666
Monoisotopic Mass:818.24440666
Topological Polar Surface Area:197
Heavy Atom Count:58
Complexity:944
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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