3-(3-methylpiperidin-1-ium-1-yl)butyl 4-butoxybenzoate chloride

CAS: 67032-43-3

Molecular Formula	`C21H34ClNO3`
Molecular Weight	384.0 g/mol
Topological Polar Surface Area	40.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	10
Exact Mass	383.22272
Heavy Atoms	26
Complexity	379.0

Chemical Identifiers

CAS Number	67032-43-3
SMILES	`CCCCOC1=CC=C(C=C1)C(=O)OCCC(C)[NH+]2CCCC(C2)C.[Cl-]`
InChIKey	`BXJRBJAIKLRAAN-UHFFFAOYSA-N`

📖 Product Overview

3-(3-methylpiperidin-1-ium-1-yl)butyl 4-butoxybenzoate chloride (CAS: 67032-43-3) is a chemical compound with molecular formula C21H34ClNO3 and molecular weight 384.0 g/mol. Its IUPAC systematic name is 3-(3-methylpiperidin-1-ium-1-yl)butyl 4-butoxybenzoate chloride. Topological Polar Surface Area 40.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 10 Exact Mass 383.22272 Heavy Atoms 26 Complexity 379.0 InChI Key: BXJRBJAIKLRAAN-UHFFFAOYSA-N. SMILES: CCCCOC1=CC=C(C=C1)C(=O)OCCC(C)[NH+]2CCCC(C2)C.[Cl-].

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