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113611-75-9 | Quinolinium, 2-[[2-[dimethyl[3-(triethylsilyl)propyl]ammonio]ethoxy]carbonyl]-1-methyl-, iodide (1:2)
CAS No: 113611-75-9 Catalog No: AG00094Q MDL No:
Product Description
Catalog Number:
AG00094Q
Chemical Name:
Quinolinium, 2-[[2-[dimethyl[3-(triethylsilyl)propyl]ammonio]ethoxy]carbonyl]-1-methyl-, iodide (1:2)
CAS Number:
113611-75-9
Molecular Formula:
C24H40I2N2O2Si
Molecular Weight:
670.4810
IUPAC Name:
dimethyl-[2-(1-methylquinolin-1-ium-2-carbonyl)oxyethyl]-(3-triethylsilylpropyl)azanium;diiodide
InChI:
InChI=1S/C24H40N2O2Si.2HI/c1-7-29(8-2,9-3)20-12-17-26(5,6)18-19-28-24(27)23-16-15-21-13-10-11-14-22(21)25(23)4;;/h10-11,13-16H,7-9,12,17-20H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
GGOMGPOSBJSXFF-UHFFFAOYSA-L
SMILES:
CC[Si](CCC[N+](CCOC(=O)c1ccc2c([n+]1C)cccc2)(C)C)(CC)CC.[I-].[I-]
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
670.095g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
670.49g/mol
Monoisotopic Mass:
670.095g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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