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828931-25-5 | Pyridinium, 1-[2-(7-ethyl-1-naphthalenyl)-2-oxoethyl]-, iodide
CAS No: 828931-25-5 Catalog No: AG004VTG MDL No:
Product Description
Catalog Number:
AG004VTG
Chemical Name:
Pyridinium, 1-[2-(7-ethyl-1-naphthalenyl)-2-oxoethyl]-, iodide
CAS Number:
828931-25-5
Molecular Formula:
C19H18INO
Molecular Weight:
403.2568
IUPAC Name:
1-(7-ethylnaphthalen-1-yl)-2-pyridin-1-ium-1-ylethanone;iodide
InChI:
InChI=1S/C19H18NO.HI/c1-2-15-9-10-16-7-6-8-17(18(16)13-15)19(21)14-20-11-4-3-5-12-20;/h3-13H,2,14H2,1H3;1H/q+1;/p-1
InChI Key:
RHYOALCGFCVRCT-UHFFFAOYSA-M
SMILES:
CCc1ccc2c(c1)c(ccc2)C(=O)C[n+]1ccccc1.[I-]
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.043g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.263g/mol
Monoisotopic Mass:
403.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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