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258279-32-2 | Pyridinium, 3-methyl-1-octyl-, iodide
CAS No: 258279-32-2 Catalog No: AG006W2X MDL No:
Product Description
Catalog Number:
AG006W2X
Chemical Name:
Pyridinium, 3-methyl-1-octyl-, iodide
CAS Number:
258279-32-2
Molecular Formula:
C14H24IN
Molecular Weight:
333.2515
IUPAC Name:
3-methyl-1-octylpyridin-1-ium;iodide
InChI:
InChI=1S/C14H24N.HI/c1-3-4-5-6-7-8-11-15-12-9-10-14(2)13-15;/h9-10,12-13H,3-8,11H2,1-2H3;1H/q+1;/p-1
InChI Key:
KMQXCRYVRPDQDR-UHFFFAOYSA-M
SMILES:
CCCCCCCC[n+]1cccc(c1)C.[I-]
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.257g/mol
Monoisotopic Mass:
333.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Subtype-selective nicotinic receptor antagonists: potential as tobacco use cessation agents. | Bioorganic & medicinal chemistry letters 20040419 |
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