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89932-32-1 | 1-(2-Bromoethyl)-4-(4-methylpiperidin-1-yl)pyridin-1-ium bromide
CAS No: 89932-32-1 Catalog No: AG01EYYA MDL No:
Product Description
Catalog Number:
AG01EYYA
Chemical Name:
1-(2-Bromoethyl)-4-(4-methylpiperidin-1-yl)pyridin-1-ium bromide
CAS Number:
89932-32-1
Molecular Formula:
C13H20Br2N2
Molecular Weight:
364.1193
IUPAC Name:
1-(2-bromoethyl)-4-(4-methylpiperidin-1-yl)pyridin-1-ium;bromide
InChI:
InChI=1S/C13H20BrN2.BrH/c1-12-2-9-16(10-3-12)13-4-7-15(8-5-13)11-6-14;/h4-5,7-8,12H,2-3,6,9-11H2,1H3;1H/q+1;/p-1
InChI Key:
GUIJRSGOMXEEFL-UHFFFAOYSA-M
SMILES:
BrCC[n+]1ccc(cc1)N1CCC(CC1)C.[Br-]
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.997g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.125g/mol
Monoisotopic Mass:
361.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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