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23182-46-9 | Piperidinium, 1-ethyl-1-[2-[(2-hydroxy-2,2-diphenylacetyl)oxy]ethyl]-, bromide (1:1)
CAS No: 23182-46-9 Catalog No: AG002MGX MDL No:MFCD01699810
Product Description
Catalog Number:
AG002MGX
Chemical Name:
Piperidinium, 1-ethyl-1-[2-[(2-hydroxy-2,2-diphenylacetyl)oxy]ethyl]-, bromide (1:1)
CAS Number:
23182-46-9
Molecular Formula:
C23H30BrNO3
Molecular Weight:
448.3932
MDL Number:
MFCD01699810
IUPAC Name:
2-(1-ethylpiperidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate;bromide
InChI:
InChI=1S/C23H30NO3.BrH/c1-2-24(16-10-5-11-17-24)18-19-27-22(25)23(26,20-12-6-3-7-13-20)21-14-8-4-9-15-21;/h3-4,6-9,12-15,26H,2,5,10-11,16-19H2,1H3;1H/q+1;/p-1
InChI Key:
VPUGSHLBERYQGC-UHFFFAOYSA-M
SMILES:
CC[N+]1(CCOC(=O)C(c2ccccc2)(c2ccccc2)O)CCCCC1.[Br-]
UNII:
ZA38L5WD1K
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.141g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
448.401g/mol
Monoisotopic Mass:
447.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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