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24589-41-1 | Piperidinium, 1-[2-[(2-ethyl-2-methyl-1-oxohexyl)oxy]ethyl]-1-methyl-, iodide (1:1)
CAS No: 24589-41-1 Catalog No: AG002OOG MDL No:
Product Description
Catalog Number:
AG002OOG
Chemical Name:
Piperidinium, 1-[2-[(2-ethyl-2-methyl-1-oxohexyl)oxy]ethyl]-1-methyl-, iodide (1:1)
CAS Number:
24589-41-1
Molecular Formula:
C17H34INO2
Molecular Weight:
411.3618
IUPAC Name:
2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-ethyl-2-methylhexanoate;iodide
InChI:
InChI=1S/C17H34NO2.HI/c1-5-7-11-17(3,6-2)16(19)20-15-14-18(4)12-9-8-10-13-18;/h5-15H2,1-4H3;1H/q+1;/p-1
InChI Key:
MWVNGHBLTGJAMD-UHFFFAOYSA-M
SMILES:
CCCCC(C(=O)OCC[N+]1(C)CCCCC1)(CC)C.[I-]
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.368g/mol
Monoisotopic Mass:
411.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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