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79808-81-4 | 2-[1-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,5-tetrahydropyrrol-2-yl] -1,3-diphenyl-propan-2-ol iodide
CAS No: 79808-81-4 Catalog No: AG00GHG4 MDL No:
Product Description
Catalog Number:
AG00GHG4
Chemical Name:
2-[1-[(2-methoxyphenyl)methyl]-1-methyl-2,3,4,5-tetrahydropyrrol-2-yl] -1,3-diphenyl-propan-2-ol iodide
CAS Number:
79808-81-4
IUPAC Name:
2-[1-[(2-methoxyphenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]-1,3-diphenylpropan-2-ol;iodide
InChI:
InChI=1S/C28H34NO2.HI/c1-29(22-25-16-9-10-17-26(25)31-2)19-11-18-27(29)28(30,20-23-12-5-3-6-13-23)21-24-14-7-4-8-15-24;/h3-10,12-17,27,30H,11,18-22H2,1-2H3;1H/q+1;/p-1
InChI Key:
BVQKEEGVEMHEOJ-UHFFFAOYSA-M
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
543.163g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
543.489g/mol
Monoisotopic Mass:
543.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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