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[(4S)-8-chloro-4-(piperidin-1-ium-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl] acetate;chloride

[(4S)-8-chloro-4-(piperidin-1-ium-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl] acetate;chloride structure

CAS No:
37480-14-1
Formula:
C18H25Cl2NO3
Chemical Name:
[(4S)-8-chloro-4-(piperidin-1-ium-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl] acetate;chloride
Synonyms:
37480-14-1;trans-(+-)-4-Piperidinomethyl-5-acetoxy-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin HCl;1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-8-chloro-4-(1-piperidinylmethyl)-, acetate (ester), hydrochloride, trans-(+-)-

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[(4S)-8-chloro-4-(piperidin-1-ium-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl] acetate;chloride Basic Attributes

Molecular Weight：

374.3 g/mol

Exact Mass：

373.1211490 g/mol

Characteristics

PSA：

40 Å²

Computed Properties

Molecular Weight:374.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:373.1211490
Monoisotopic Mass:373.1211490
Topological Polar Surface Area:40
Heavy Atom Count:24
Complexity:400
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of [(4S)-8-chloro-4-(piperidin-1-ium-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl] acetate;chloride

Basic Attributes
Characteristics
Computed Properties

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