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89043-66-3 | Piperidinium, 4,4'-(1,3-propanediyl)bis[1,1-dimethyl-, diiodide
CAS No: 89043-66-3 Catalog No: AG00423N MDL No:
Product Description
Catalog Number:
AG00423N
Chemical Name:
Piperidinium, 4,4'-(1,3-propanediyl)bis[1,1-dimethyl-, diiodide
CAS Number:
89043-66-3
Molecular Formula:
C17H36I2N2
Molecular Weight:
522.2901
IUPAC Name:
4-[3-(1,1-dimethylpiperidin-1-ium-4-yl)propyl]-1,1-dimethylpiperidin-1-ium;diiodide
InChI:
InChI=1S/C17H36N2.2HI/c1-18(2)12-8-16(9-13-18)6-5-7-17-10-14-19(3,4)15-11-17;;/h16-17H,5-15H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
XELGWGSXQOLKOO-UHFFFAOYSA-L
SMILES:
C[N+]1(C)CCC(CC1)CCCC1CC[N+](CC1)(C)C.[I-].[I-]
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
522.097g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
522.298g/mol
Monoisotopic Mass:
522.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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