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15599-22-1 | Pyrrolidinium, 3-[(2-cyclopentyl-2-phenylacetyl)oxy]-1-ethyl-1-methyl-, bromide (1:1)
CAS No: 15599-22-1 Catalog No: AG001OEJ MDL No:
Product Description
Catalog Number:
AG001OEJ
Chemical Name:
Pyrrolidinium, 3-[(2-cyclopentyl-2-phenylacetyl)oxy]-1-ethyl-1-methyl-, bromide (1:1)
CAS Number:
15599-22-1
Molecular Formula:
C20H30BrNO2
Molecular Weight:
396.3617
IUPAC Name:
(1-ethyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-phenylacetate;bromide
InChI:
InChI=1S/C20H30NO2.BrH/c1-3-21(2)14-13-18(15-21)23-20(22)19(17-11-7-8-12-17)16-9-5-4-6-10-16;/h4-6,9-10,17-19H,3,7-8,11-15H2,1-2H3;1H/q+1;/p-1
InChI Key:
HZVNJIOPUIMLRO-UHFFFAOYSA-M
SMILES:
CC[N+]1(C)CCC(C1)OC(=O)C(c1ccccc1)C1CCCC1.[Br-]
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.146g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.369g/mol
Monoisotopic Mass:
395.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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