4-[(6-amino-1-methylquinazolin-4-ylidene)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-methylbenzenesulfonic acid
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![4-[(6-amino-1-methylquinazolin-4-ylidene)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-methylbenzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5378f683be1d478f928ea00d562fcdc4.png "4-[(6-amino-1-methylquinazolin-4-ylidene)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-methylbenzenesulfonic acid")
4-[(6-amino-1-methylquinazolin-4-ylidene)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-methylbenzenesulfonic acid
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CAS No:
50309-00-7
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Formula:
C42H42N7O7S2+
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Chemical Name:
4-[(6-amino-1-methylquinazolin-4-ylidene)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-methylbenzenesulfonic acid
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Synonyms:
50309-00-7;Quinazolinium, 6-amino-1-methyl-4-((4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-, salt with 4-methylbenzenesulfonic acid (1:2)
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CAS No:
4-[(6-amino-1-methylquinazolin-4-ylidene)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-methylbenzenesulfonic acid Basic Attributes
821.0 g/mol
820.25871405 g/mol
Computed Properties
Molecular Weight:821.0
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:820.25871405
Monoisotopic Mass:820.25871405
Topological Polar Surface Area:225
Heavy Atom Count:58
Formal Charge:1
Complexity:998
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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