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102207-27-2 | Piperidinium, 1-[2-(diethylamino)-2-oxoethyl]-4-formyl-1-methyl-4-phenyl-, iodide (1:1)
CAS No: 102207-27-2 Catalog No: AG0006WG MDL No:
Product Description
Catalog Number:
AG0006WG
Chemical Name:
Piperidinium, 1-[2-(diethylamino)-2-oxoethyl]-4-formyl-1-methyl-4-phenyl-, iodide (1:1)
CAS Number:
102207-27-2
Molecular Formula:
C19H29IN2O2
Molecular Weight:
444.3502
IUPAC Name:
N,N-diethyl-2-(4-formyl-1-methyl-4-phenylpiperidin-1-ium-1-yl)acetamide;iodide
InChI:
InChI=1S/C19H29N2O2.HI/c1-4-20(5-2)18(23)15-21(3)13-11-19(16-22,12-14-21)17-9-7-6-8-10-17;/h6-10,16H,4-5,11-15H2,1-3H3;1H/q+1;/p-1
InChI Key:
MJCZXFUGCAWRMC-UHFFFAOYSA-M
SMILES:
CCN(C(=O)C[N+]1(C)CCC(CC1)(C=O)c1ccccc1)CC.[I-]
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.357g/mol
Monoisotopic Mass:
444.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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