4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium;hydrochloride
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![4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium;hydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4cf8614f5b6a4223838e42312da01234.png "4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium;hydrochloride")
4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium;hydrochloride
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CAS No:
32860-01-8
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Formula:
C19H22Cl2N2OS
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Chemical Name:
4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium;hydrochloride
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Synonyms:
32860-01-8;Octoclothepin N-oxide hydrochloride;Octoclothepin N-oxide HCl;8-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin N-oxide hydrochloride;DTXSID60954515;Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, 4-oxide, monohydrochloride;4-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-methyl-1-oxo-1lambda~5~-piperazine--hydrogen chloride (1/1)
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CAS No:
4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-1-oxidopiperazin-1-ium;hydrochloride Basic Attributes
397.4 g/mol
396.0829899 g/mol
Computed Properties
Molecular Weight:397.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:396.0829899
Monoisotopic Mass:396.0829899
Topological Polar Surface Area:46.6
Heavy Atom Count:25
Complexity:443
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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