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548763-40-2 | 3-methyl-1-(4-methylpiperidine-1-carbonyl)-1H-imidazol-3-ium iodide
CAS No: 548763-40-2 Catalog No: AG019QRR MDL No:MFCD11099762
Product Description
Catalog Number:
AG019QRR
Chemical Name:
3-methyl-1-(4-methylpiperidine-1-carbonyl)-1H-imidazol-3-ium iodide
CAS Number:
548763-40-2
Molecular Formula:
C11H18IN3O
Molecular Weight:
335.1846
MDL Number:
MFCD11099762
IUPAC Name:
(3-methylimidazol-3-ium-1-yl)-(4-methylpiperidin-1-yl)methanone;iodide
InChI:
InChI=1S/C11H18N3O.HI/c1-10-3-5-13(6-4-10)11(15)14-8-7-12(2)9-14;/h7-10H,3-6H2,1-2H3;1H/q+1;/p-1
InChI Key:
MVVUHXZJDNBTTD-UHFFFAOYSA-M
SMILES:
CC1CCN(CC1)C(=O)n1cc[n+](c1)C.[I-]
Properties
Complexity:
236
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:
0
Undefined Bond Stereocenter Count:
0
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