[(6S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl] 3,4,5-trimethoxybenzoate;chloride
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[(6S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl] 3,4,5-trimethoxybenzoate;chloride
structure -
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CAS No:
57464-36-5
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Formula:
C20H30ClNO5
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Chemical Name:
[(6S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl] 3,4,5-trimethoxybenzoate;chloride
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Synonyms:
57464-36-5;cis-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride;cis-Decahydro-2-methyl-6-isoquinolinol 3,4,5-trimethoxybenzoate hydrochloride;6-Isoquinolinol, decahydro-2-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride, (Z)-;Benzoic acid, 3,4,5-trimethoxy-, decahydro-2-methylisoquinolin-6-yl ester, hydrochloride cis
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CAS No:
[(6S)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl] 3,4,5-trimethoxybenzoate;chloride Basic Attributes
399.9 g/mol
399.1812508 g/mol
Computed Properties
Molecular Weight:399.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:399.1812508
Monoisotopic Mass:399.1812508
Topological Polar Surface Area:58.4
Heavy Atom Count:27
Complexity:459
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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