Compound C21H22Cl2N2O2

6-chloro-9-[2-(6-methyl-3-pyridinyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-9-ium-2-carboxylic acid chloride

CAS: 58479-48-4

Molecular Formula	`C21H22Cl2N2O2`
Molecular Weight	405.3 g/mol
Topological Polar Surface Area	54.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	404.10583
Heavy Atoms	27
Complexity	578.0

Chemical Identifiers

CAS Number	58479-48-4
SMILES	`CC1=NC=C(C=C1)CC[NH+]2C3=C(CCC(C3)C(=O)O)C4=C2C=CC(=C4)Cl.[Cl-]`
InChIKey	`AXNKKKFNADVIAJ-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H22Cl2N2O2 (CAS: 58479-48-4) is a chemical compound with molecular formula C21H22Cl2N2O2 and molecular weight 405.3 g/mol. Its IUPAC systematic name is 6-chloro-9-[2-(6-methyl-3-pyridinyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-9-ium-2-carboxylic acid chloride. Topological Polar Surface Area 54.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 404.10583 Heavy Atoms 27 Complexity 578.0 InChI Key: AXNKKKFNADVIAJ-UHFFFAOYSA-N. SMILES: CC1=NC=C(C=C1)CC[NH+]2C3=C(CCC(C3)C(=O)O)C4=C2C=CC(=C4)Cl.[Cl-].

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