Compound C17H22Cl2N2

3-(1-butyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-5-chloro-1H-indole chloride

CAS: 79931-43-4

Molecular Formula	`C17H22Cl2N2`
Molecular Weight	325.3 g/mol
Topological Polar Surface Area	20.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	1
Rotatable Bonds	4
Exact Mass	324.116
Heavy Atoms	21
Complexity	355.0

Chemical Identifiers

CAS Number	79931-43-4
SMILES	`CCCC[NH+]1CCC(=CC1)C2=CNC3=C2C=C(C=C3)Cl.[Cl-]`
InChIKey	`STZMNXYLWOKQJQ-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H22Cl2N2 (CAS: 79931-43-4) is a chemical compound with molecular formula C17H22Cl2N2 and molecular weight 325.3 g/mol. Its IUPAC systematic name is 3-(1-butyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)-5-chloro-1H-indole chloride. Topological Polar Surface Area 20.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 1 Rotatable Bonds 4 Exact Mass 324.116 Heavy Atoms 21 Complexity 355.0 InChI Key: STZMNXYLWOKQJQ-UHFFFAOYSA-N. SMILES: CCCC[NH+]1CCC(=CC1)C2=CNC3=C2C=C(C=C3)Cl.[Cl-].

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