8-chloro-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one,(Z)-4-hydroxy-4-oxobut-2-enoate

Modify Date: 2025-12-01 13:04:10

8-chloro-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one,(Z)-4-hydroxy-4-oxobut-2-enoate Structure
8-chloro-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one,(Z)-4-hydroxy-4-oxobut-2-enoate structure
Common Name 8-chloro-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one,(Z)-4-hydroxy-4-oxobut-2-enoate
CAS Number 37480-13-0 Molecular Weight 409.86100
Density N/A Boiling Point N/A
Molecular Formula C20H24ClNO6 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 8-chloro-4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one,(Z)-4-hydroxy-4-oxobut-2-enoate

 Chemical & Physical Properties

Molecular Formula C20H24ClNO6
Molecular Weight 409.86100
Exact Mass 409.12900
PSA 104.14000
LogP 3.05700
InChIKey FXEFLBUTDXBZJH-BTJKTKAUSA-N
SMILES O=C([O-])C=CC(=O)O.O=C1c2ccc(Cl)cc2OCCC1C[NH+]1CCCCC1
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