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Home > Pyridines > 123521-03-9
123521-03-9 | Pyridinium, 1-[(4-methylphenyl)sulfonyl]-4-(4-morpholinyl)-, chloride (1:1)
CAS No: 123521-03-9 Catalog No: AG000KQC MDL No:
Product Description
Catalog Number:
AG000KQC
Chemical Name:
Pyridinium, 1-[(4-methylphenyl)sulfonyl]-4-(4-morpholinyl)-, chloride (1:1)
CAS Number:
123521-03-9
Molecular Formula:
C16H19ClN2O3S
Molecular Weight:
354.8517
IUPAC Name:
4-[1-(4-methylphenyl)sulfonylpyridin-1-ium-4-yl]morpholine;chloride
InChI:
InChI=1S/C16H19N2O3S.ClH/c1-14-2-4-16(5-3-14)22(19,20)18-8-6-15(7-9-18)17-10-12-21-13-11-17;/h2-9H,10-13H2,1H3;1H/q+1;/p-1
InChI Key:
FLRRBOAUCCGRAI-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)S(=O)(=O)[n+]1ccc(cc1)N1CCOCC1.[Cl-]
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.08g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.849g/mol
Monoisotopic Mass:
354.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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