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18970-07-5 | 4-Methyl-2-(4-methyl-2-pyridinyl)-1-(2-oxo-2-phenylethyl)pyridinium bromide
CAS No: 18970-07-5 Catalog No: AG01F4EX MDL No:MFCD06637436
Product Description
Catalog Number:
AG01F4EX
Chemical Name:
4-Methyl-2-(4-methyl-2-pyridinyl)-1-(2-oxo-2-phenylethyl)pyridinium bromide
CAS Number:
18970-07-5
Molecular Formula:
C20H19BrN2O
Molecular Weight:
383.2817
MDL Number:
MFCD06637436
IUPAC Name:
2-[4-methyl-2-(4-methylpyridin-2-yl)pyridin-1-ium-1-yl]-1-phenylethanone;bromide
InChI:
InChI=1S/C20H19N2O.BrH/c1-15-8-10-21-18(12-15)19-13-16(2)9-11-22(19)14-20(23)17-6-4-3-5-7-17;/h3-13H,14H2,1-2H3;1H/q+1;/p-1
InChI Key:
REHUNKBUOPMOFJ-UHFFFAOYSA-M
SMILES:
Cc1cc[n+](c(c1)c1nccc(c1)C)CC(=O)c1ccccc1.[Br-]
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.068g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.289g/mol
Monoisotopic Mass:
382.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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