1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methyl-1-tetradecylpyridin-1-ium;chloride

2.1.2 InChI

InChI=1S/C20H36N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20(21)2;/h14,16-17,19H,3-13,15,18H2,1-2H3;1H/q+1;/p-1

2.1.3 InChI Key

XNPUQBBDBSSZQX-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCCCCCCCCCCCC[N+]1=CC=CC=C1C.[Cl-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl444300

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₃₆ClN
Molecular Weight	326.0 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Exact Mass	325.2536278 g/mol
Monoisotopic Mass	325.2536278 g/mol
Topological Polar Surface Area	3.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	214
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

Myristyl Picolinium Chloride