[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone chloride

CAS: 17766-61-9

Molecular Formula	`C22H29ClN2O4`
Molecular Weight	420.9 g/mol
Topological Polar Surface Area	52.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	420.18158
Heavy Atoms	29
Complexity	481.0

Chemical Identifiers

CAS Number	17766-61-9
SMILES	`CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-]`
InChIKey	`DGWSBEFWPNKDTJ-UHFFFAOYSA-N`

📖 Product Overview

[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone chloride (CAS: 17766-61-9) is a chemical compound with molecular formula C22H29ClN2O4 and molecular weight 420.9 g/mol. Its IUPAC systematic name is [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone chloride. Topological Polar Surface Area 52.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 420.18158 Heavy Atoms 29 Complexity 481.0 InChI Key: DGWSBEFWPNKDTJ-UHFFFAOYSA-N. SMILES: CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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