Compound C16H27ClN2O

3,5,7-trimethyl-1-(2-pyrrolidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride

CAS: 1900-35-2

Molecular Formula	`C16H27ClN2O`
Molecular Weight	298.8 g/mol
Topological Polar Surface Area	24.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	3
Exact Mass	298.18118
Heavy Atoms	20
Complexity	405.0

Chemical Identifiers

CAS Number	1900-35-2
SMILES	`CC1C=C(C=C(N(C1=O)CC(C)[NH+]2CCCC2)C)C.[Cl-]`
InChIKey	`ZUISNHWTLHLLDR-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H27ClN2O (CAS: 1900-35-2) is a chemical compound with molecular formula C16H27ClN2O and molecular weight 298.8 g/mol. Its IUPAC systematic name is 3,5,7-trimethyl-1-(2-pyrrolidin-1-ium-1-ylpropyl)-3H-azepin-2-one chloride. Topological Polar Surface Area 24.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 3 Exact Mass 298.18118 Heavy Atoms 20 Complexity 405.0 InChI Key: ZUISNHWTLHLLDR-UHFFFAOYSA-N. SMILES: CC1C=C(C=C(N(C1=O)CC(C)[NH+]2CCCC2)C)C.[Cl-].

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