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Home > Imidazoles > 1232232-84-6
1232232-84-6 | 3-methyl-1-(4-phenylpiperazine-1-carbonyl)-1H-imidazol-3-ium iodide
CAS No: 1232232-84-6 Catalog No: AG019QR2 MDL No:MFCD11099737
Product Description
Catalog Number:
AG019QR2
Chemical Name:
3-methyl-1-(4-phenylpiperazine-1-carbonyl)-1H-imidazol-3-ium iodide
CAS Number:
1232232-84-6
Molecular Formula:
C15H19IN4O
Molecular Weight:
398.2420
MDL Number:
MFCD11099737
IUPAC Name:
(3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone;iodide
InChI:
InChI=1S/C15H19N4O.HI/c1-16-7-8-19(13-16)15(20)18-11-9-17(10-12-18)14-5-3-2-4-6-14;/h2-8,13H,9-12H2,1H3;1H/q+1;/p-1
InChI Key:
YEUNSVOUDOXREF-UHFFFAOYSA-M
SMILES:
C[n+]1ccn(c1)C(=O)N1CCN(CC1)c1ccccc1.[I-]
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.06g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.248g/mol
Monoisotopic Mass:
398.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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