1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

trimethyl-[2-(piperidin-1-ylcarbamoyloxy)ethyl]azanium;iodide

2.1.2 InChI

InChI=1S/C11H23N3O2.HI/c1-14(2,3)9-10-16-11(15)12-13-7-5-4-6-8-13;/h4-10H2,1-3H3;1H

2.1.3 InChI Key

YKGGJFNZBJXVQR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C[N+](C)(C)CCOC(=O)NN1CCCCC1.[I-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 63939-05-9

2. Tl 925

3. Choline, Iodide, 1-piperidine Carbamate

4. Choline, Beta-(n-piperidylcarbamyloxy)-, Iodide

5. Piperidylcarbamate Of Trimethyl-2-hydroxyethylammonium Iodide

6. Ethanaminium, N,n,n-trimethyl-2-(((1-piperidinylamino)carbonyl)oxy)-, Iodide

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₂₄IN₃O₂
Molecular Weight	357.23 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	41.6
Heavy Atom Count	17
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

TL 925