1-N-[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-ethylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide;4-methylbenzenesulfonate
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![1-N-[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-ethylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide;4-methylbenzenesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f8cac130261e433997fbc8413697b2ed.png "1-N-[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-ethylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide;4-methylbenzenesulfonate")
1-N-[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-ethylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide;4-methylbenzenesulfonate
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CAS No:
19060-33-4
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Formula:
C47H45N5O9S2
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Chemical Name:
1-N-[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-ethylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide;4-methylbenzenesulfonate
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Synonyms:
19060-33-4;Quinolinium, 1-ethyl-6-((p-(p-((1-ethylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate;NSC 101325;CHEMBL3230615;DTXSID10172545;Quinolinium, 1-ethyl-6-((4-(((4-(((1-ethylpyridinium-3-yl)amino)carbonyl)phenyl)amino)carbonyl)benzoyl)amino)-, salt with 4-methylbenzenesulfonic acid (1:2) (9CI)
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CAS No:
1-N-[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-ethylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide;4-methylbenzenesulfonate Basic Attributes
888.0 g/mol
887.26587038 g/mol
DTXSID10172545
Computed Properties
Molecular Weight:888.0
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:887.26587038
Monoisotopic Mass:887.26587038
Topological Polar Surface Area:226
Heavy Atom Count:63
Complexity:1080
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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