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106618-62-6 | Piperidinium, 4-[(cyclohexylphenylacetyl)oxy]-1,1-dimethyl-, iodide
CAS No: 106618-62-6 Catalog No: AG007C9T MDL No:
Product Description
Catalog Number:
AG007C9T
Chemical Name:
Piperidinium, 4-[(cyclohexylphenylacetyl)oxy]-1,1-dimethyl-, iodide
CAS Number:
106618-62-6
Molecular Formula:
C21H32INO2
Molecular Weight:
457.3888
IUPAC Name:
(1,1-dimethylpiperidin-1-ium-4-yl) 2-cyclohexyl-2-phenylacetate;iodide
InChI:
InChI=1S/C21H32NO2.HI/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3,5-6,9-10,18-20H,4,7-8,11-16H2,1-2H3;1H/q+1;/p-1
InChI Key:
NGYJQFAJKUCWAS-UHFFFAOYSA-M
SMILES:
O=C(C(c1ccccc1)C1CCCCC1)OC1CC[N+](CC1)(C)C.[I-]
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.148g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
457.396g/mol
Monoisotopic Mass:
457.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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