Compound C21H27ClN2O3

2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride

CAS: 61356-04-5

Molecular Formula	`C21H27ClN2O3`
Molecular Weight	390.9 g/mol
Topological Polar Surface Area	51.1 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	390.17102
Heavy Atoms	27
Complexity	529.0

Chemical Identifiers

CAS Number	61356-04-5
SMILES	`C1CC[NH+](CC1)CCOC2=CC=CC(=C2)N3C(=O)C4CC=CCC4C3=O.[Cl-]`
InChIKey	`KZCXMVISWNSAHG-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H27ClN2O3 (CAS: 61356-04-5) is a chemical compound with molecular formula C21H27ClN2O3 and molecular weight 390.9 g/mol. Its IUPAC systematic name is 2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride. Topological Polar Surface Area 51.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 390.17102 Heavy Atoms 27 Complexity 529.0 InChI Key: KZCXMVISWNSAHG-UHFFFAOYSA-N. SMILES: C1CC[NH+](CC1)CCOC2=CC=CC(=C2)N3C(=O)C4CC=CCC4C3=O.[Cl-].

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