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38135-09-0 | Quinolinium, 1-ethyl-2-[(1-ethyl-2(1H)-quinolinylidene)methyl]-, nitrate
CAS No: 38135-09-0 Catalog No: AG0075J0 MDL No:
Product Description
Catalog Number:
AG0075J0
Chemical Name:
Quinolinium, 1-ethyl-2-[(1-ethyl-2(1H)-quinolinylidene)methyl]-, nitrate
CAS Number:
38135-09-0
Molecular Formula:
C23H23N3O3
Molecular Weight:
389.4470
IUPAC Name:
1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline;nitrate
InChI:
InChI=1S/C23H23N2.NO3/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2;2-1(3)4/h5-17H,3-4H2,1-2H3;/q+1;-1
InChI Key:
UYCRWKICQTZNCA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)[O-].CC[n+]1c(ccc2c1cccc2)C=c1ccc2c(n1CC)cccc2
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.174g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.455g/mol
Monoisotopic Mass:
389.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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