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102207-31-8 | Piperidinium, 1-[2-(2,2-diphenylethoxy)ethyl]-1-methyl-, iodide (1:1)
CAS No: 102207-31-8 Catalog No: AG0006XO MDL No:
Product Description
Catalog Number:
AG0006XO
Chemical Name:
Piperidinium, 1-[2-(2,2-diphenylethoxy)ethyl]-1-methyl-, iodide (1:1)
CAS Number:
102207-31-8
Molecular Formula:
C22H30INO
Molecular Weight:
451.3842
IUPAC Name:
1-[2-(2,2-diphenylethoxy)ethyl]-1-methylpiperidin-1-ium;iodide
InChI:
InChI=1S/C22H30NO.HI/c1-23(15-9-4-10-16-23)17-18-24-19-22(20-11-5-2-6-12-20)21-13-7-3-8-14-21;/h2-3,5-8,11-14,22H,4,9-10,15-19H2,1H3;1H/q+1;/p-1
InChI Key:
KEUHETRBFBMZGH-UHFFFAOYSA-M
SMILES:
C[N+]1(CCCCC1)CCOCC(c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.137g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
451.392g/mol
Monoisotopic Mass:
451.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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