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22066-17-7 | Pyridinium,4-[2-(diethylmethylammonio)ethyl]-1,2,3,6-tetrahydro-1,1,2,2,6,6-hexamethyl-,iodide (1:2)
CAS No: 22066-17-7 Catalog No: AG007PVV MDL No:
Product Description
Catalog Number:
AG007PVV
Chemical Name:
Pyridinium,4-[2-(diethylmethylammonio)ethyl]-1,2,3,6-tetrahydro-1,1,2,2,6,6-hexamethyl-,iodide (1:2)
CAS Number:
22066-17-7
Molecular Formula:
C18H38I2N2
Molecular Weight:
536.3167
IUPAC Name:
diethyl-[2-(1,1,2,2,6,6-hexamethyl-3H-pyridin-1-ium-4-yl)ethyl]-methylazanium;diiodide
InChI:
InChI=1S/C18H38N2.2HI/c1-10-20(9,11-2)13-12-16-14-17(3,4)19(7,8)18(5,6)15-16;;/h14H,10-13,15H2,1-9H3;2*1H/q+2;;/p-2
InChI Key:
SZDIFFRDEWWGCF-UHFFFAOYSA-L
SMILES:
CC[N+](CCC1=CC([N+](C(C1)(C)C)(C)C)(C)C)(CC)C.[I-].[I-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
536.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
536.325g/mol
Monoisotopic Mass:
536.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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