Compound C18H23ClN2O6

6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate

CAS: 57462-90-5

Molecular Formula	`C18H23ClN2O6`
Molecular Weight	398.8 g/mol
Topological Polar Surface Area	111.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	398.12445
Heavy Atoms	27
Complexity	465.0

Chemical Identifiers

CAS Number	57462-90-5
SMILES	`CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)[NH+]3CCCC3.C(=O)(C(=O)[O-])O`
InChIKey	`AAVUTVAWYYKIJW-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H23ClN2O6 (CAS: 57462-90-5) is a chemical compound with molecular formula C18H23ClN2O6 and molecular weight 398.8 g/mol. Its IUPAC systematic name is 6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 111.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 398.12445 Heavy Atoms 27 Complexity 465.0 InChI Key: AAVUTVAWYYKIJW-UHFFFAOYSA-N. SMILES: CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)[NH+]3CCCC3.C(=O)(C(=O)[O-])O.

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