3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]propyl-dimethylazanium dichloride structure

3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]propyl-dimethylazanium dichloride

3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]propyl-dimethylazanium dichloride

CAS: 18833-70-0
Molecular Formula C19H27Cl3N2S
Molecular Weight 421.9 g/mol
Topological Polar Surface Area 43.9 A2
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
Rotatable Bonds 5
Exact Mass 420.09604
Heavy Atoms 25
Complexity 365.0

Chemical Identifiers

CAS Number 18833-70-0
SMILES C[NH+](C)CCCSC1=C2CCCCCC2=[NH+]C3=C1C=C(C=C3)Cl.[Cl-].[Cl-]
InChIKey FNYNHBCVAUXHSO-UHFFFAOYSA-N

📖 Product Overview

3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]propyl-dimethylazanium dichloride (CAS: 18833-70-0) is a chemical compound with molecular formula C19H27Cl3N2S and molecular weight 421.9 g/mol. Its IUPAC systematic name is 3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]propyl-dimethylazanium dichloride. Topological Polar Surface Area 43.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 420.09604 Heavy Atoms 25 Complexity 365.0 InChI Key: FNYNHBCVAUXHSO-UHFFFAOYSA-N. SMILES: C[NH+](C)CCCSC1=C2CCCCCC2=[NH+]C3=C1C=C(C=C3)Cl.[Cl-].[Cl-].

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]propyl-dimethylazanium dichloride.

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