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21127-43-5 | Pyridinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-pyridinylidene)-1-propen-1-yl]-, iodide (1:1)
CAS No: 21127-43-5 Catalog No: AG002L9D MDL No:
Product Description
Catalog Number:
AG002L9D
Chemical Name:
Pyridinium, 1-ethyl-2-[3-(1-ethyl-2(1H)-pyridinylidene)-1-propen-1-yl]-, iodide (1:1)
CAS Number:
21127-43-5
Molecular Formula:
C17H21IN2
Molecular Weight:
380.2665
IUPAC Name:
1-ethyl-2-[3-(1-ethylpyridin-1-ium-2-yl)prop-1-enylidene]pyridine;iodide
InChI:
InChI=1S/C17H21N2.HI/c1-3-18-14-7-5-10-16(18)12-9-13-17-11-6-8-15-19(17)4-2;/h5-11,14-15H,3-4,12H2,1-2H3;1H/q+1;/p-1
InChI Key:
HKSZFHBILMYVIR-UHFFFAOYSA-M
SMILES:
CC[n+]1ccccc1C=CC=c1ccccn1CC.[I-]
EC Number:
244-227-5
Properties
Complexity:
400
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.273g/mol
Monoisotopic Mass:
380.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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