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4-[(1,6-dimethylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-methylbenzenesulfonate

4-[(1,6-dimethylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-methylbenzenesulfonate structure

CAS No:
50308-87-7
Formula:
C44H43N5O7S2
Chemical Name:
4-[(1,6-dimethylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-methylbenzenesulfonate
Synonyms:
50308-87-7;Quinolinium, 1,6-dimethyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate;CHEMBL3230748;DTXSID70198322

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4-[(1,6-dimethylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-methylbenzenesulfonate Basic Attributes

Molecular Weight：

818.0 g/mol

Exact Mass：

817.26039107 g/mol

DSSTox ID：

DTXSID70198322

Characteristics

PSA：

192 Å²

Computed Properties

Molecular Weight:818.0
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:817.26039107
Monoisotopic Mass:817.26039107
Topological Polar Surface Area:192
Heavy Atom Count:58
Complexity:887
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 4-[(1,6-dimethylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-methylbenzenesulfonate

Basic Attributes
Characteristics
Computed Properties

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