methane(2-methyl-3-piperidin-1-ium-1-yl-1-thiophen-2-ylpropyl) phenyl carbonatechloride

methane;(2-methyl-3-piperidin-1-ium-1-yl-1-thiophen-2-ylpropyl) phenyl carbonate;chloride

CAS: 101911-99-3

Molecular Formula	`C21H30ClNO3S`
Molecular Weight	412.0 g/mol
Topological Polar Surface Area	68.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	411.16348
Heavy Atoms	27
Complexity	408.0

Chemical Identifiers

CAS Number	101911-99-3
SMILES	`C.CC(C[NH+]1CCCCC1)C(C2=CC=CS2)OC(=O)OC3=CC=CC=C3.[Cl-]`
InChIKey	`MWDGTXZSUKOHGH-UHFFFAOYSA-N`

📖 Product Overview

methane(2-methyl-3-piperidin-1-ium-1-yl-1-thiophen-2-ylpropyl) phenyl carbonatechloride (CAS: 101911-99-3) is a chemical compound with molecular formula C21H30ClNO3S and molecular weight 412.0 g/mol. Its IUPAC systematic name is methane;(2-methyl-3-piperidin-1-ium-1-yl-1-thiophen-2-ylpropyl) phenyl carbonate;chloride. Topological Polar Surface Area 68.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 8 Exact Mass 411.16348 Heavy Atoms 27 Complexity 408.0 InChI Key: MWDGTXZSUKOHGH-UHFFFAOYSA-N. SMILES: C.CC(C[NH+]1CCCCC1)C(C2=CC=CS2)OC(=O)OC3=CC=CC=C3.[Cl-].

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