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89238-83-5 | Morpholinium, 4-[2-(4-butoxyphenyl)-2-oxoethyl]-4-methyl-, iodide
CAS No: 89238-83-5 Catalog No: AG0042T0 MDL No:
Product Description
Catalog Number:
AG0042T0
Chemical Name:
Morpholinium, 4-[2-(4-butoxyphenyl)-2-oxoethyl]-4-methyl-, iodide
CAS Number:
89238-83-5
Molecular Formula:
C17H26INO3
Molecular Weight:
419.2977
IUPAC Name:
1-(4-butoxyphenyl)-2-(4-methylmorpholin-4-ium-4-yl)ethanone;iodide
InChI:
InChI=1S/C17H26NO3.HI/c1-3-4-11-21-16-7-5-15(6-8-16)17(19)14-18(2)9-12-20-13-10-18;/h5-8H,3-4,9-14H2,1-2H3;1H/q+1;/p-1
InChI Key:
JRNVLHSOAFGGBP-UHFFFAOYSA-M
SMILES:
CCCCOc1ccc(cc1)C(=O)C[N+]1(C)CCOCC1.[I-]
Properties
Complexity:
318
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:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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