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29665-94-9

29665-94-9 | Pyridinium, 1-ethyl-3-[(2S)-1-ethyl-1-methylpyrrolidinium-2-yl]-, iodide (1:2)

CAS No: 29665-94-9 Catalog No: AG002Z1H MDL No:

Product Description

Catalog Number:
AG002Z1H
Chemical Name:
Pyridinium, 1-ethyl-3-[(2S)-1-ethyl-1-methylpyrrolidinium-2-yl]-, iodide (1:2)
CAS Number:
29665-94-9
Molecular Formula:
C14H24I2N2
Molecular Weight:
474.1627
IUPAC Name:
1-ethyl-3-(1-ethyl-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium;diiodide
InChI:
InChI=1S/C14H24N2.2HI/c1-4-15-10-6-8-13(12-15)14-9-7-11-16(14,3)5-2;;/h6,8,10,12,14H,4-5,7,9,11H2,1-3H3;2*1H/q+2;;/p-2
InChI Key:
YUHZSOYUTYOXHR-UHFFFAOYSA-L
SMILES:
CC[n+]1cccc(c1)[C@@H]1CCC[N+]1(C)CC.[I-].[I-]

Properties

Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.003g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
474.169g/mol
Monoisotopic Mass:
474.003g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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