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Home > Pyridines > 1293953-05-5
1293953-05-5 | 1-(2-Pyridyl-ethyl)-4-(tetrahydro-pyran-4-yl)-pyridinium chloride hydrochloride
CAS No: 1293953-05-5 Catalog No: AG01ERZM MDL No:
Product Description
Catalog Number:
AG01ERZM
Chemical Name:
1-(2-Pyridyl-ethyl)-4-(tetrahydro-pyran-4-yl)-pyridinium chloride hydrochloride
CAS Number:
1293953-05-5
Molecular Formula:
C17H22Cl2N2O
Molecular Weight:
341.2754
IUPAC Name:
4-(oxan-4-yl)-1-(2-pyridin-2-ylethyl)pyridin-1-ium;chloride;hydrochloride
InChI:
InChI=1S/C17H21N2O.2ClH/c1-2-9-18-17(3-1)6-12-19-10-4-15(5-11-19)16-7-13-20-14-8-16;;/h1-5,9-11,16H,6-8,12-14H2;2*1H/q+1;;/p-1
InChI Key:
MEAHIOQMNFKESO-UHFFFAOYSA-M
SMILES:
O1CCC(CC1)c1cc[n+](cc1)CCc1ccccn1.Cl.[Cl-]
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.276g/mol
Monoisotopic Mass:
340.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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