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Home > Imidazoles > 1231959-23-1
1231959-23-1 | 3-methyl-1-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H-imidazol-3-ium iodide
CAS No: 1231959-23-1 Catalog No: AG019QRG MDL No:MFCD11099750
Product Description
Catalog Number:
AG019QRG
Chemical Name:
3-methyl-1-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H-imidazol-3-ium iodide
CAS Number:
1231959-23-1
Molecular Formula:
C14H18IN5O
Molecular Weight:
399.2301
MDL Number:
MFCD11099750
IUPAC Name:
(3-methylimidazol-3-ium-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;iodide
InChI:
InChI=1S/C14H18N5O.HI/c1-16-6-7-19(12-16)14(20)18-10-8-17(9-11-18)13-4-2-3-5-15-13;/h2-7,12H,8-11H2,1H3;1H/q+1;/p-1
InChI Key:
UTUSCAUAIQXEJY-UHFFFAOYSA-M
SMILES:
C[n+]1ccn(c1)C(=O)N1CCN(CC1)c1ccccn1.[I-]
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.056g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.236g/mol
Monoisotopic Mass:
399.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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