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672927-60-5 | Piperidinium, 1-(5-hydroxy-3-oxo-5,5-diphenylpentyl)-1-methyl-, iodide
CAS No: 672927-60-5 Catalog No: AG005PFG MDL No:
Product Description
Catalog Number:
AG005PFG
Chemical Name:
Piperidinium, 1-(5-hydroxy-3-oxo-5,5-diphenylpentyl)-1-methyl-, iodide
CAS Number:
672927-60-5
Molecular Formula:
C23H30INO2
Molecular Weight:
479.3943
IUPAC Name:
1-hydroxy-5-(1-methylpiperidin-1-ium-1-yl)-1,1-diphenylpentan-3-one;iodide
InChI:
InChI=1S/C23H30NO2.HI/c1-24(16-9-4-10-17-24)18-15-22(25)19-23(26,20-11-5-2-6-12-20)21-13-7-3-8-14-21;/h2-3,5-8,11-14,26H,4,9-10,15-19H2,1H3;1H/q+1;/p-1
InChI Key:
SMGMHZUFKFXSBS-UHFFFAOYSA-M
SMILES:
O=C(CC(c1ccccc1)(c1ccccc1)O)CC[N+]1(C)CCCCC1.[I-]
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
479.402g/mol
Monoisotopic Mass:
479.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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