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Home > Imidazoles > 1232233-23-6
1232233-23-6 | 1-[benzyl(ethyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS No: 1232233-23-6 Catalog No: AG019QRT MDL No:MFCD11099764
Product Description
Catalog Number:
AG019QRT
Chemical Name:
1-[benzyl(ethyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS Number:
1232233-23-6
Molecular Formula:
C14H18IN3O
Molecular Weight:
371.2167
MDL Number:
MFCD11099764
IUPAC Name:
N-benzyl-N-ethyl-3-methylimidazol-3-ium-1-carboxamide;iodide
InChI:
InChI=1S/C14H18N3O.HI/c1-3-16(11-13-7-5-4-6-8-13)14(18)17-10-9-15(2)12-17;/h4-10,12H,3,11H2,1-2H3;1H/q+1;/p-1
InChI Key:
WVXQNAPMOSAHEI-UHFFFAOYSA-M
SMILES:
CCN(C(=O)n1cc[n+](c1)C)Cc1ccccc1.[I-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.222g/mol
Monoisotopic Mass:
371.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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