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20730-62-5 | Quinolinium, 1-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-, chloride (1:1)
CAS No: 20730-62-5 Catalog No: AG002IYN MDL No:
Product Description
Catalog Number:
AG002IYN
Chemical Name:
Quinolinium, 1-ethyl-2-[(1-ethyl-4(1H)-quinolinylidene)methyl]-, chloride (1:1)
CAS Number:
20730-62-5
Molecular Formula:
C23H23ClN2
Molecular Weight:
362.8951
IUPAC Name:
1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline;chloride
InChI:
InChI=1S/C23H23N2.ClH/c1-3-24-16-15-19(21-10-6-8-12-23(21)24)17-20-14-13-18-9-5-7-11-22(18)25(20)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
GHZUPGHPGRQSBN-UHFFFAOYSA-M
SMILES:
CCn1ccc(=Cc2ccc3c([n+]2CC)cccc3)c2c1cccc2.[Cl-]
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.155g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.901g/mol
Monoisotopic Mass:
362.155g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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