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64047-58-1 | trimethyl-[3-(1-methylisoquinolin-2-ium-2-yl)propyl]azanium dibromide
CAS No: 64047-58-1 Catalog No: AG0035WF MDL No:
Product Description
Catalog Number:
AG0035WF
Chemical Name:
trimethyl-[3-(1-methylisoquinolin-2-ium-2-yl)propyl]azanium dibromide
CAS Number:
64047-58-1
Molecular Formula:
C16H24Br2N2
Molecular Weight:
404.1832
IUPAC Name:
trimethyl-[3-(1-methylisoquinolin-2-ium-2-yl)propyl]azanium;dibromide
InChI:
InChI=1S/C16H24N2.2BrH/c1-14-16-9-6-5-8-15(16)10-12-17(14)11-7-13-18(2,3)4;;/h5-6,8-10,12H,7,11,13H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
KXQOFXMOHFZTQD-UHFFFAOYSA-L
SMILES:
Cc1[n+](CCC[N+](C)(C)C)ccc2c1cccc2.[Br-].[Br-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.029g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.19g/mol
Monoisotopic Mass:
402.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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