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113115-38-1 | Isoquinolinium, 2,2'-(1,4-butanediyl)bis-, diiodide
CAS No: 113115-38-1 Catalog No: AG007RAW MDL No:
Product Description
Catalog Number:
AG007RAW
Chemical Name:
Isoquinolinium, 2,2'-(1,4-butanediyl)bis-, diiodide
CAS Number:
113115-38-1
Molecular Formula:
C22H22I2N2
Molecular Weight:
568.2324
IUPAC Name:
2-(4-isoquinolin-2-ium-2-ylbutyl)isoquinolin-2-ium;diiodide
InChI:
InChI=1S/C22H22N2.2HI/c1-3-9-21-17-23(15-11-19(21)7-1)13-5-6-14-24-16-12-20-8-2-4-10-22(20)18-24;;/h1-4,7-12,15-18H,5-6,13-14H2;2*1H/q+2;;/p-2
InChI Key:
LNWKNQBQDKCCBZ-UHFFFAOYSA-L
SMILES:
c1ccc2c(c1)c[n+](cc2)CCCC[n+]1ccc2c(c1)cccc2.[I-].[I-]
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
567.987g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
568.241g/mol
Monoisotopic Mass:
567.987g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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