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10031-58-0 | Pyridinium, 5-ethyl-2-methyl-1-(1,4,4,6,6-pentamethylheptyl)-, chloride (1:1)
CAS No: 10031-58-0 Catalog No: AG0001L2 MDL No:
Product Description
Catalog Number:
AG0001L2
Chemical Name:
Pyridinium, 5-ethyl-2-methyl-1-(1,4,4,6,6-pentamethylheptyl)-, chloride (1:1)
CAS Number:
10031-58-0
Molecular Formula:
C20H36ClN
Molecular Weight:
325.9595
IUPAC Name:
5-ethyl-2-methyl-1-(5,5,7,7-tetramethyloctan-2-yl)pyridin-1-ium;chloride
InChI:
InChI=1S/C20H36N.ClH/c1-9-18-11-10-16(2)21(14-18)17(3)12-13-20(7,8)15-19(4,5)6;/h10-11,14,17H,9,12-13,15H2,1-8H3;1H/q+1;/p-1
InChI Key:
XZTPBDZTQNLDOX-UHFFFAOYSA-M
SMILES:
CCc1ccc([n+](c1)C(CCC(CC(C)(C)C)(C)C)C)C.[Cl-]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.254g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.965g/mol
Monoisotopic Mass:
325.254g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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