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142808-56-8 | 3,5-BIS((4-METHOXYPHENYL)METHYLENE)-1,1-DIMETHYL-4-OXO-PIPERIDINIUM IODIDE
CAS No: 142808-56-8 Catalog No: AG006XHW MDL No:
Product Description
Catalog Number:
AG006XHW
Chemical Name:
3,5-BIS((4-METHOXYPHENYL)METHYLENE)-1,1-DIMETHYL-4-OXO-PIPERIDINIUM IODIDE
CAS Number:
142808-56-8
Molecular Formula:
C23H26INO3
Molecular Weight:
491.3619
IUPAC Name:
3,5-bis[(4-methoxyphenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide
InChI:
InChI=1S/C23H26NO3.HI/c1-24(2)15-19(13-17-5-9-21(26-3)10-6-17)23(25)20(16-24)14-18-7-11-22(27-4)12-8-18;/h5-14H,15-16H2,1-4H3;1H/q+1;/p-1
InChI Key:
OVOCUYYSNQBYJR-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1)C=C1C[N+](C)(C)CC(=Cc2ccc(cc2)OC)C1=O.[I-]
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.096g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
491.369g/mol
Monoisotopic Mass:
491.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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