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70502-73-7 | 1-(2-(2-(DIETHYLMETHYLAMMONIO)ETHOXY)-2-OXOETHYL)-1-METHYLPIPERIDINIUM DIIODIDE
CAS No: 70502-73-7 Catalog No: AG005UG1 MDL No:
Product Description
Catalog Number:
AG005UG1
Chemical Name:
1-(2-(2-(DIETHYLMETHYLAMMONIO)ETHOXY)-2-OXOETHYL)-1-METHYLPIPERIDINIUM DIIODIDE
CAS Number:
70502-73-7
Molecular Formula:
C15H32I2N2O2
Molecular Weight:
526.2357
IUPAC Name:
diethyl-methyl-[2-[2-(1-methylpiperidin-1-ium-1-yl)acetyl]oxyethyl]azanium;diiodide
InChI:
InChI=1S/C15H32N2O2.2HI/c1-5-16(3,6-2)12-13-19-15(18)14-17(4)10-8-7-9-11-17;;/h5-14H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
NKSJNHTZEFPMIU-UHFFFAOYSA-L
SMILES:
CC[N+](CCOC(=O)C[N+]1(C)CCCCC1)(CC)C.[I-].[I-]
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
526.242g/mol
Monoisotopic Mass:
526.055g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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