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89238-82-4 | Morpholinium, 4-methyl-4-[2-oxo-2-(4-propoxyphenyl)ethyl]-, iodide
CAS No: 89238-82-4 Catalog No: AG0042T1 MDL No:
Product Description
Catalog Number:
AG0042T1
Chemical Name:
Morpholinium, 4-methyl-4-[2-oxo-2-(4-propoxyphenyl)ethyl]-, iodide
CAS Number:
89238-82-4
Molecular Formula:
C16H24INO3
Molecular Weight:
405.2711
IUPAC Name:
2-(4-methylmorpholin-4-ium-4-yl)-1-(4-propoxyphenyl)ethanone;iodide
InChI:
InChI=1S/C16H24NO3.HI/c1-3-10-20-15-6-4-14(5-7-15)16(18)13-17(2)8-11-19-12-9-17;/h4-7H,3,8-13H2,1-2H3;1H/q+1;/p-1
InChI Key:
QACISUQKQIORKX-UHFFFAOYSA-M
SMILES:
CCCOc1ccc(cc1)C(=O)C[N+]1(C)CCOCC1.[I-]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.276g/mol
Monoisotopic Mass:
405.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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