Compound C21H35ClN2O3

1-piperidin-1-ium-1-ylpropan-2-yl N-(3-hexoxyphenyl)carbamate chloride

CAS: 40712-76-3

Molecular Formula	`C21H35ClN2O3`
Molecular Weight	399.0 g/mol
Topological Polar Surface Area	52.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	11
Exact Mass	398.2336
Heavy Atoms	27
Complexity	385.0

Chemical Identifiers

CAS Number	40712-76-3
SMILES	`CCCCCCOC1=CC=CC(=C1)NC(=O)OC(C)C[NH+]2CCCCC2.[Cl-]`
InChIKey	`MKQCARNEBTZZMP-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H35ClN2O3 (CAS: 40712-76-3) is a chemical compound with molecular formula C21H35ClN2O3 and molecular weight 399.0 g/mol. Its IUPAC systematic name is 1-piperidin-1-ium-1-ylpropan-2-yl N-(3-hexoxyphenyl)carbamate chloride. Topological Polar Surface Area 52.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 11 Exact Mass 398.2336 Heavy Atoms 27 Complexity 385.0 InChI Key: MKQCARNEBTZZMP-UHFFFAOYSA-N. SMILES: CCCCCCOC1=CC=CC(=C1)NC(=O)OC(C)C[NH+]2CCCCC2.[Cl-].

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