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89242-96-6 | Pyridinium, 3-(1-hydroxy-1-phenyl-3-butynyl)-1-methyl-, iodide
CAS No: 89242-96-6 Catalog No: AG00889E MDL No:
Product Description
Catalog Number:
AG00889E
Chemical Name:
Pyridinium, 3-(1-hydroxy-1-phenyl-3-butynyl)-1-methyl-, iodide
CAS Number:
89242-96-6
Molecular Formula:
C16H16INO
Molecular Weight:
365.2088
IUPAC Name:
1-(1-methylpyridin-1-ium-3-yl)-1-phenylbut-3-yn-1-ol;iodide
InChI:
InChI=1S/C16H16NO.HI/c1-3-11-16(18,14-8-5-4-6-9-14)15-10-7-12-17(2)13-15;/h1,4-10,12-13,18H,11H2,2H3;1H/q+1;/p-1
InChI Key:
ZOWZYPAWIFYDSZ-UHFFFAOYSA-M
SMILES:
C#CCC(c1ccc[n+](c1)C)(c1ccccc1)O.[I-]
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.214g/mol
Monoisotopic Mass:
365.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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