Compound C20H29Cl3N2S

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

CAS: 18833-71-1

Molecular Formula	`C20H29Cl3N2S`
Molecular Weight	435.9 g/mol
Topological Polar Surface Area	43.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	434.1117
Heavy Atoms	26
Complexity	377.0

Chemical Identifiers

CAS Number	18833-71-1
SMILES	`CC[NH+](CC)CCSC1=C2CCCCCC2=[NH+]C3=C1C=CC(=C3)Cl.[Cl-].[Cl-]`
InChIKey	`MMXISAWVYOTNQU-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H29Cl3N2S (CAS: 18833-71-1) is a chemical compound with molecular formula C20H29Cl3N2S and molecular weight 435.9 g/mol. Its IUPAC systematic name is 2-[(3-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]ethyl-diethylazanium dichloride. Topological Polar Surface Area 43.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 434.1117 Heavy Atoms 26 Complexity 377.0 InChI Key: MMXISAWVYOTNQU-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCSC1=C2CCCCCC2=[NH+]C3=C1C=CC(=C3)Cl.[Cl-].[Cl-].

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