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88059-17-0 | Piperidinium, 1-methyl-1-[2-[[(phenylmethoxy)acetyl]oxy]ethyl]-, iodide
CAS No: 88059-17-0 Catalog No: AG004LCG MDL No:
Product Description
Catalog Number:
AG004LCG
Chemical Name:
Piperidinium, 1-methyl-1-[2-[[(phenylmethoxy)acetyl]oxy]ethyl]-, iodide
CAS Number:
88059-17-0
Molecular Formula:
C17H26INO3
Molecular Weight:
419.2977
IUPAC Name:
2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-phenylmethoxyacetate;iodide
InChI:
InChI=1S/C17H26NO3.HI/c1-18(10-6-3-7-11-18)12-13-21-17(19)15-20-14-16-8-4-2-5-9-16;/h2,4-5,8-9H,3,6-7,10-15H2,1H3;1H/q+1;/p-1
InChI Key:
MAPKNNRLIYHRDR-UHFFFAOYSA-M
SMILES:
O=C(OCC[N+]1(C)CCCCC1)COCc1ccccc1.[I-]
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.303g/mol
Monoisotopic Mass:
419.096g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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