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

CAS: 100311-23-7

Molecular Formula	`C21H36Cl2N2O3`
Molecular Weight	435.4 g/mol
Topological Polar Surface Area	56.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	12
Exact Mass	434.2103
Heavy Atoms	28
Complexity	385.0

Chemical Identifiers

CAS Number	100311-23-7
SMILES	`CCCC[NH2+]C1=CC(=C(C=C1)C(=O)OCCC[NH+]2CCCCC2)OCC.[Cl-].[Cl-]`
InChIKey	`IIAZLESTLKPXMW-UHFFFAOYSA-N`

📖 Product Overview

butyl-[3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]azanium dichloride (CAS: 100311-23-7) is a chemical compound with molecular formula C21H36Cl2N2O3 and molecular weight 435.4 g/mol. Its IUPAC systematic name is butyl-[3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]azanium dichloride. Topological Polar Surface Area 56.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 12 Exact Mass 434.2103 Heavy Atoms 28 Complexity 385.0 InChI Key: IIAZLESTLKPXMW-UHFFFAOYSA-N. SMILES: CCCC[NH2+]C1=CC(=C(C=C1)C(=O)OCCC[NH+]2CCCCC2)OCC.[Cl-].[Cl-].

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