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32305-34-3 | Piperidinium,1-methyl-1-[2-[[2-[5-methyl-2-(1-methylethyl)phenoxy]acetyl]oxy]ethyl]-, iodide(1:1)
CAS No: 32305-34-3 Catalog No: AG007GTA MDL No:
Product Description
Catalog Number:
AG007GTA
Chemical Name:
Piperidinium,1-methyl-1-[2-[[2-[5-methyl-2-(1-methylethyl)phenoxy]acetyl]oxy]ethyl]-, iodide(1:1)
CAS Number:
32305-34-3
Molecular Formula:
C20H32INO3
Molecular Weight:
461.3774
IUPAC Name:
2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate;iodide
InChI:
InChI=1S/C20H32NO3.HI/c1-16(2)18-9-8-17(3)14-19(18)24-15-20(22)23-13-12-21(4)10-6-5-7-11-21;/h8-9,14,16H,5-7,10-13,15H2,1-4H3;1H/q+1;/p-1
InChI Key:
ZZGOCQXMQYYQJY-UHFFFAOYSA-M
SMILES:
O=C(COc1cc(C)ccc1C(C)C)OCC[N+]1(C)CCCCC1.[I-]
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.143g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.384g/mol
Monoisotopic Mass:
461.143g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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