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20110-42-3 | Morpholinium, 4-methyl-4-[2-(1,2,3,6-tetrahydro-1,1,2,2,6,6-hexamethylpyridinium-4-yl)ethyl]-, iodide (1:2)
CAS No: 20110-42-3 Catalog No: AG002D6V MDL No:
Product Description
Catalog Number:
AG002D6V
Chemical Name:
Morpholinium, 4-methyl-4-[2-(1,2,3,6-tetrahydro-1,1,2,2,6,6-hexamethylpyridinium-4-yl)ethyl]-, iodide (1:2)
CAS Number:
20110-42-3
Molecular Formula:
C18H36I2N2O
Molecular Weight:
550.3002
IUPAC Name:
4-[2-(1,1,2,2,6,6-hexamethyl-3H-pyridin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium;diiodide
InChI:
InChI=1S/C18H36N2O.2HI/c1-17(2)14-16(15-18(3,4)19(17,5)6)8-9-20(7)10-12-21-13-11-20;;/h14H,8-13,15H2,1-7H3;2*1H/q+2;;/p-2
InChI Key:
INTIDGDXLNLLDN-UHFFFAOYSA-L
SMILES:
C[N+]1(CCOCC1)CCC1=CC([N+](C(C1)(C)C)(C)C)(C)C.[I-].[I-]
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.092g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
550.308g/mol
Monoisotopic Mass:
550.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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