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147047-25-4 | Pyrrolidinium, 1-[4-[[[(4-fluorophenyl)amino]carbonyl]oxy]-2-butyn-1-yl]-1-methyl-
CAS No: 147047-25-4 Catalog No: AG001EK4 MDL No:
Product Description
Catalog Number:
AG001EK4
Chemical Name:
Pyrrolidinium, 1-[4-[[[(4-fluorophenyl)amino]carbonyl]oxy]-2-butyn-1-yl]-1-methyl-
CAS Number:
147047-25-4
Molecular Formula:
C16H20FN2O2+
Molecular Weight:
291.3406
IUPAC Name:
4-(1-methylpyrrolidin-1-ium-1-yl)but-2-ynyl N-(4-fluorophenyl)carbamate
InChI:
InChI=1S/C16H19FN2O2/c1-19(10-2-3-11-19)12-4-5-13-21-16(20)18-15-8-6-14(17)7-9-15/h6-9H,2-3,10-13H2,1H3/p+1
InChI Key:
QPJXLGDWRGOCFK-UHFFFAOYSA-O
SMILES:
O=C(Nc1ccc(cc1)F)OCC#CC[N+]1(C)CCCC1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.151g/mol
Formal Charge:
1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.346g/mol
Monoisotopic Mass:
291.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| New functionally selective muscarinic agonists. | Life sciences 19930101 |
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