3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-hexoxybenzoate chloride

CAS: 67049-49-4

Molecular Formula	`C23H38ClNO3`
Molecular Weight	412.0 g/mol
Topological Polar Surface Area	40.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	12
Exact Mass	411.25403
Heavy Atoms	28
Complexity	396.0

Chemical Identifiers

CAS Number	67049-49-4
SMILES	`CCCCCCOC1=CC=C(C=C1)C(=O)OCCC[NH+]2C(CCCC2C)C.[Cl-]`
InChIKey	`KHIXPLNSPBXQAX-UHFFFAOYSA-N`

📖 Product Overview

3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-hexoxybenzoate chloride (CAS: 67049-49-4) is a chemical compound with molecular formula C23H38ClNO3 and molecular weight 412.0 g/mol. Its IUPAC systematic name is 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-hexoxybenzoate chloride. Topological Polar Surface Area 40.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 12 Exact Mass 411.25403 Heavy Atoms 28 Complexity 396.0 InChI Key: KHIXPLNSPBXQAX-UHFFFAOYSA-N. SMILES: CCCCCCOC1=CC=C(C=C1)C(=O)OCCC[NH+]2C(CCCC2C)C.[Cl-].

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