O-(1-ethylpiperidin-1-ium-3-yl) 2,2-diphenylethanethioate chloride

CAS: 57554-27-5

Molecular Formula	`C21H26ClNOS`
Molecular Weight	376.0 g/mol
Topological Polar Surface Area	45.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	375.14236
Heavy Atoms	25
Complexity	369.0

Chemical Identifiers

CAS Number	57554-27-5
SMILES	`CC[NH+]1CCCC(C1)OC(=S)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]`
InChIKey	`FFWRMEZJTTZGIW-UHFFFAOYSA-N`

📖 Product Overview

O-(1-ethylpiperidin-1-ium-3-yl) 2,2-diphenylethanethioate chloride (CAS: 57554-27-5) is a chemical compound with molecular formula C21H26ClNOS and molecular weight 376.0 g/mol. Its IUPAC systematic name is O-(1-ethylpiperidin-1-ium-3-yl) 2,2-diphenylethanethioate chloride. Topological Polar Surface Area 45.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 375.14236 Heavy Atoms 25 Complexity 369.0 InChI Key: FFWRMEZJTTZGIW-UHFFFAOYSA-N. SMILES: CC[NH+]1CCCC(C1)OC(=S)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].

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