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88514-23-2 | 1-METHYL-1-(3-(4-((1-METHYLPIPERIDINIO)ACETYL)-(PIPERAZIN-1-YL))-3-OXOPROPYL)PIPERIDINIUM DIIODIDE
CAS No: 88514-23-2 Catalog No: AG0048K0 MDL No:
Product Description
Catalog Number:
AG0048K0
Chemical Name:
1-METHYL-1-(3-(4-((1-METHYLPIPERIDINIO)ACETYL)-(PIPERAZIN-1-YL))-3-OXOPROPYL)PIPERIDINIUM DIIODIDE
CAS Number:
88514-23-2
Molecular Formula:
C21H40I2N4O2
Molecular Weight:
634.3768
IUPAC Name:
3-(1-methylpiperidin-1-ium-1-yl)-1-[4-[2-(1-methylpiperidin-1-ium-1-yl)acetyl]piperazin-1-yl]propan-1-one;diiodide
InChI:
InChI=1S/C21H40N4O2.2HI/c1-24(14-5-3-6-15-24)18-9-20(26)22-10-12-23(13-11-22)21(27)19-25(2)16-7-4-8-17-25;;/h3-19H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
HLXLXHBMXILPON-UHFFFAOYSA-L
SMILES:
O=C(N1CCN(CC1)C(=O)C[N+]1(C)CCCCC1)CC[N+]1(C)CCCCC1.[I-].[I-]
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
634.124g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
634.386g/mol
Monoisotopic Mass:
634.124g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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