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64047-69-4 | triethyl(3-isoquinolin-2-ium-2-ylpropyl)azanium dibromide
CAS No: 64047-69-4 Catalog No: AG0035WE MDL No:
Product Description
Catalog Number:
AG0035WE
Chemical Name:
triethyl(3-isoquinolin-2-ium-2-ylpropyl)azanium dibromide
CAS Number:
64047-69-4
Molecular Formula:
C18H28Br2N2
Molecular Weight:
432.2363
IUPAC Name:
triethyl(3-isoquinolin-2-ium-2-ylpropyl)azanium;dibromide
InChI:
InChI=1S/C18H28N2.2BrH/c1-4-20(5-2,6-3)15-9-13-19-14-12-17-10-7-8-11-18(17)16-19;;/h7-8,10-12,14,16H,4-6,9,13,15H2,1-3H3;2*1H/q+2;;/p-2
InChI Key:
VVWYBGBTZWEMKT-UHFFFAOYSA-L
SMILES:
CC[N+](CCC[n+]1ccc2c(c1)cccc2)(CC)CC.[Br-].[Br-]
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.06g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.244g/mol
Monoisotopic Mass:
430.062g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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