Compound C17H23ClN2O2

2-(4-piperidin-1-ium-1-ylbut-2-ynyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride

CAS: 55680-90-5

Molecular Formula	`C17H23ClN2O2`
Molecular Weight	322.8 g/mol
Topological Polar Surface Area	41.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	322.1448
Heavy Atoms	22
Complexity	493.0

Chemical Identifiers

CAS Number	55680-90-5
SMILES	`C1CC[NH+](CC1)CC#CCN2C(=O)C3CC=CCC3C2=O.[Cl-]`
InChIKey	`XLXXXAYXQGSNNR-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H23ClN2O2 (CAS: 55680-90-5) is a chemical compound with molecular formula C17H23ClN2O2 and molecular weight 322.8 g/mol. Its IUPAC systematic name is 2-(4-piperidin-1-ium-1-ylbut-2-ynyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride. Topological Polar Surface Area 41.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 322.1448 Heavy Atoms 22 Complexity 493.0 InChI Key: XLXXXAYXQGSNNR-UHFFFAOYSA-N. SMILES: C1CC[NH+](CC1)CC#CCN2C(=O)C3CC=CCC3C2=O.[Cl-].

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