[2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] benzoate chloride

CAS: 67114-22-1

Molecular Formula	`C18H28ClNO2`
Molecular Weight	325.9 g/mol
Topological Polar Surface Area	30.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	325.18085
Heavy Atoms	22
Complexity	326.0

Chemical Identifiers

CAS Number	67114-22-1
SMILES	`CC1CC[NH+](CC1)CC(C)(C)COC(=O)C2=CC=CC=C2.[Cl-]`
InChIKey	`YZCMOBHZFGELIY-UHFFFAOYSA-N`

📖 Product Overview

[2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] benzoate chloride (CAS: 67114-22-1) is a chemical compound with molecular formula C18H28ClNO2 and molecular weight 325.9 g/mol. Its IUPAC systematic name is [2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] benzoate chloride. Topological Polar Surface Area 30.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 325.18085 Heavy Atoms 22 Complexity 326.0 InChI Key: YZCMOBHZFGELIY-UHFFFAOYSA-N. SMILES: CC1CC[NH+](CC1)CC(C)(C)COC(=O)C2=CC=CC=C2.[Cl-].

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