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1025059-41-9 | {[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}trimethylazanium iodide
CAS No: 1025059-41-9 Catalog No: AG019OJA MDL No:MFCD07329916
Product Description
Catalog Number:
AG019OJA
Chemical Name:
{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}trimethylazanium iodide
CAS Number:
1025059-41-9
Molecular Formula:
C17H25IN2O
Molecular Weight:
400.2977
MDL Number:
MFCD07329916
IUPAC Name:
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl-trimethylazanium;iodide
InChI:
InChI=1S/C17H25N2O.HI/c1-13-11-15(12-19(3,4)5)14(2)18(13)16-7-9-17(20-6)10-8-16;/h7-11H,12H2,1-6H3;1H/q+1;/p-1
InChI Key:
GLGDBBZMFGYIJH-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1)n1c(C)cc(c1C)C[N+](C)(C)C.[I-]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.304g/mol
Monoisotopic Mass:
400.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
14.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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