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89238-81-3 | Piperidinium, 1-methyl-1-[2-oxo-2-[4-(pentyloxy)phenyl]ethyl]-, iodide
CAS No: 89238-81-3 Catalog No: AG0043A7 MDL No:
Product Description
Catalog Number:
AG0043A7
Chemical Name:
Piperidinium, 1-methyl-1-[2-oxo-2-[4-(pentyloxy)phenyl]ethyl]-, iodide
CAS Number:
89238-81-3
Molecular Formula:
C19H30INO2
Molecular Weight:
431.3515
IUPAC Name:
2-(1-methylpiperidin-1-ium-1-yl)-1-(4-pentoxyphenyl)ethanone;iodide
InChI:
InChI=1S/C19H30NO2.HI/c1-3-4-8-15-22-18-11-9-17(10-12-18)19(21)16-20(2)13-6-5-7-14-20;/h9-12H,3-8,13-16H2,1-2H3;1H/q+1;/p-1
InChI Key:
NJIRTFJXCBEZFQ-UHFFFAOYSA-M
SMILES:
CCCCCOc1ccc(cc1)C(=O)C[N+]1(C)CCCCC1.[I-]
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.358g/mol
Monoisotopic Mass:
431.132g/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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