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142093-83-2 | Pyridinium, 1-(phenylmethyl)-2-[2-(2-pyridinyl)ethenyl]-, iodide (1:1)
CAS No: 142093-83-2 Catalog No: AG001HRL MDL No:
Product Description
Catalog Number:
AG001HRL
Chemical Name:
Pyridinium, 1-(phenylmethyl)-2-[2-(2-pyridinyl)ethenyl]-, iodide (1:1)
CAS Number:
142093-83-2
Molecular Formula:
C19H17IN2
Molecular Weight:
400.2562
IUPAC Name:
1-benzyl-2-(2-pyridin-2-ylethenyl)pyridin-1-ium;iodide
InChI:
InChI=1S/C19H17N2.HI/c1-2-8-17(9-3-1)16-21-15-7-5-11-19(21)13-12-18-10-4-6-14-20-18;/h1-15H,16H2;1H/q+1;/p-1
InChI Key:
MUYSSWYXMNQZMI-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)C[n+]1ccccc1C=Cc1ccccn1.[I-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.044g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.263g/mol
Monoisotopic Mass:
400.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
16.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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