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Home > Pyridines > 114591-30-9
114591-30-9 | Pyridinium, 2,6-dimethyl-1-(2-naphthalenyl)-4-phenyl-, perchlorate (1:1)
CAS No: 114591-30-9 Catalog No: AG000ERL MDL No:
Product Description
Catalog Number:
AG000ERL
Chemical Name:
Pyridinium, 2,6-dimethyl-1-(2-naphthalenyl)-4-phenyl-, perchlorate (1:1)
CAS Number:
114591-30-9
Molecular Formula:
C23H20ClNO4
Molecular Weight:
409.8622
IUPAC Name:
2,6-dimethyl-1-naphthalen-2-yl-4-phenylpyridin-1-ium;perchlorate
InChI:
InChI=1S/C23H20N.ClHO4/c1-17-14-22(19-8-4-3-5-9-19)15-18(2)24(17)23-13-12-20-10-6-7-11-21(20)16-23;2-1(3,4)5/h3-16H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
HDZIHJHWDHELTJ-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1cc(cc([n+]1c1ccc2c(c1)cccc2)C)c1ccccc1
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.108g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.866g/mol
Monoisotopic Mass:
409.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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