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Home > Imidazoles > 548763-38-8
548763-38-8 | 1H-Imidazolium, 1-methyl-3-[(3-methyl-1-piperidinyl)carbonyl]-, iodide
CAS No: 548763-38-8 Catalog No: AG019QRH MDL No:MFCD11099751
Product Description
Catalog Number:
AG019QRH
Chemical Name:
1H-Imidazolium, 1-methyl-3-[(3-methyl-1-piperidinyl)carbonyl]-, iodide
CAS Number:
548763-38-8
Molecular Formula:
C11H18IN3O
Molecular Weight:
335.1846
MDL Number:
MFCD11099751
IUPAC Name:
(3-methylimidazol-3-ium-1-yl)-(3-methylpiperidin-1-yl)methanone;iodide
InChI:
InChI=1S/C11H18N3O.HI/c1-10-4-3-5-13(8-10)11(15)14-7-6-12(2)9-14;/h6-7,9-10H,3-5,8H2,1-2H3;1H/q+1;/p-1
InChI Key:
LKOXLJIEAAYPOL-UHFFFAOYSA-M
SMILES:
CC1CCCN(C1)C(=O)n1cc[n+](c1)C.[I-]
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.189g/mol
Monoisotopic Mass:
335.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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