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17039-23-5 | Piperidinium,1,1'-[1,2-ethenediylbis(1,3-dioxolane-2,4-diylmethylene)]bis[1-methyl-,diiodide (9CI)
CAS No: 17039-23-5 Catalog No: AG0078RQ MDL No:
Product Description
Catalog Number:
AG0078RQ
Chemical Name:
Piperidinium,1,1'-[1,2-ethenediylbis(1,3-dioxolane-2,4-diylmethylene)]bis[1-methyl-,diiodide (9CI)
CAS Number:
17039-23-5
Molecular Formula:
C22H40I2N2O4
Molecular Weight:
650.3729
IUPAC Name:
1-methyl-1-[[2-[2-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethenyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium;diiodide
InChI:
InChI=1S/C22H40N2O4.2HI/c1-23(11-5-3-6-12-23)15-19-17-25-21(27-19)9-10-22-26-18-20(28-22)16-24(2)13-7-4-8-14-24;;/h9-10,19-22H,3-8,11-18H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
RINZQDAQQFNHKG-UHFFFAOYSA-L
SMILES:
C[N+]1(CCCCC1)CC1COC(O1)C=CC1OCC(O1)C[N+]1(C)CCCCC1.[I-].[I-]
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
650.108g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
650.381g/mol
Monoisotopic Mass:
650.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
1
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