butyl-[4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxyphenyl]azanium dichloride

CAS: 100347-55-5

Molecular Formula	`C22H38Cl2N2O3`
Molecular Weight	449.5 g/mol
Topological Polar Surface Area	56.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	13
Exact Mass	448.22595
Heavy Atoms	29
Complexity	399.0

Chemical Identifiers

CAS Number	100347-55-5
SMILES	`CCCC[NH2+]C1=CC(=C(C=C1)C(=O)OCCC[NH+]2CCCCC2)OCCC.[Cl-].[Cl-]`
InChIKey	`VEQBJTZFBGPLMQ-UHFFFAOYSA-N`

📖 Product Overview

butyl-[4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxyphenyl]azanium dichloride (CAS: 100347-55-5) is a chemical compound with molecular formula C22H38Cl2N2O3 and molecular weight 449.5 g/mol. Its IUPAC systematic name is butyl-[4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxyphenyl]azanium dichloride. Topological Polar Surface Area 56.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 13 Exact Mass 448.22595 Heavy Atoms 29 Complexity 399.0 InChI Key: VEQBJTZFBGPLMQ-UHFFFAOYSA-N. SMILES: CCCC[NH2+]C1=CC(=C(C=C1)C(=O)OCCC[NH+]2CCCCC2)OCCC.[Cl-].[Cl-].

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