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23060-33-5 | Quinolinium, 1-ethyl-4-[(1-phenyl-4(1H)-pyridinylidene)methyl]-, iodide (1:1)
CAS No: 23060-33-5 Catalog No: AG002M2P MDL No:
Product Description
Catalog Number:
AG002M2P
Chemical Name:
Quinolinium, 1-ethyl-4-[(1-phenyl-4(1H)-pyridinylidene)methyl]-, iodide (1:1)
CAS Number:
23060-33-5
Molecular Formula:
C23H21IN2
Molecular Weight:
452.3307
IUPAC Name:
1-ethyl-4-[(1-phenylpyridin-1-ium-4-yl)methylidene]quinoline;iodide
InChI:
InChI=1S/C23H21N2.HI/c1-2-24-17-14-20(22-10-6-7-11-23(22)24)18-19-12-15-25(16-13-19)21-8-4-3-5-9-21;/h3-18H,2H2,1H3;1H/q+1;/p-1
InChI Key:
MCSHNIUPIIOWBY-UHFFFAOYSA-M
SMILES:
CC[n+]1ccc(c2c1cccc2)C=c1ccn(cc1)c1ccccc1.[I-]
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.075g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.339g/mol
Monoisotopic Mass:
452.075g/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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