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121774-65-0 | Pyridinium, 1-[[[4-(dimethylamino)phenyl]methylene]amino]-2-ethyl-6-methyl-, perchlorate (1:1)
CAS No: 121774-65-0 Catalog No: AG0015Y2 MDL No:
Product Description
Catalog Number:
AG0015Y2
Chemical Name:
Pyridinium, 1-[[[4-(dimethylamino)phenyl]methylene]amino]-2-ethyl-6-methyl-, perchlorate (1:1)
CAS Number:
121774-65-0
Molecular Formula:
C17H22ClN3O4
Molecular Weight:
367.8273
IUPAC Name:
4-[(2-ethyl-6-methylpyridin-1-ium-1-yl)iminomethyl]-N,N-dimethylaniline;perchlorate
InChI:
InChI=1S/C17H22N3.ClHO4/c1-5-16-8-6-7-14(2)20(16)18-13-15-9-11-17(12-10-15)19(3)4;2-1(3,4)5/h6-13H,5H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
SZRBSWQZELFIGD-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CCc1cccc([n+]1N=Cc1ccc(cc1)N(C)C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.13g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.83g/mol
Monoisotopic Mass:
367.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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