[4-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3-methoxyphenyl]azanium dichloride

CAS: 57645-37-1

Molecular Formula	`C20H27Cl2N3O2`
Molecular Weight	412.3 g/mol
Topological Polar Surface Area	70.4 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	411.14804
Heavy Atoms	27
Complexity	417.0

Chemical Identifiers

CAS Number	57645-37-1
SMILES	`COC1=C(C=CC(=C1)[NH3+])C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3.[Cl-].[Cl-]`
InChIKey	`GUSCUQNRSKOYOW-UHFFFAOYSA-N`

📖 Product Overview

[4-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3-methoxyphenyl]azanium dichloride (CAS: 57645-37-1) is a chemical compound with molecular formula C20H27Cl2N3O2 and molecular weight 412.3 g/mol. Its IUPAC systematic name is [4-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3-methoxyphenyl]azanium dichloride. Topological Polar Surface Area 70.4 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 411.14804 Heavy Atoms 27 Complexity 417.0 InChI Key: GUSCUQNRSKOYOW-UHFFFAOYSA-N. SMILES: COC1=C(C=CC(=C1)[NH3+])C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3.[Cl-].[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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