1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate;hydrochloride

2.1.2 InChI

InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1

2.1.3 InChI Key

JXXCENBLGFBQJM-FYZOBXCZSA-N

2.1.4 Canonical SMILES

C[N+](C)(C)CC(CC(=O)[O-])O.Cl

2.1.5 Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])O.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. L-carnitine Hydrochloride

2. Schembl932466

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₆ClNO₃
Molecular Weight	197.66 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	197.0818711 g/mol
Monoisotopic Mass	197.0818711 g/mol
Topological Polar Surface Area	60.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

L(-)-Carnitine Hydrochloride