(1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate,chloride
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(1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate,chloride
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CAS No:
101710-99-0
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Formula:
C19H28ClNO3
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Chemical Name:
(1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate,chloride
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Synonyms:
(1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride; 5-{[(2-hydroxy-3-methyl-2-phenylbutanoyl)oxy]methyl}-1,4-dimethyl-1,2,3,6-tetrahydropyridinium chloride;
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CAS No:
(1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbutanoate,chloride Basic Attributes
353.88400
353.1757714 g/mol
Computed Properties
Molecular Weight:353.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:353.1757714
Monoisotopic Mass:353.1757714
Topological Polar Surface Area:51
Heavy Atom Count:24
Complexity:452
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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