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10125-84-5 | Piperidinium, 1-methyl-1-(1-methylethyl)-4-phenyl-, iodide (1:1)
CAS No: 10125-84-5 Catalog No: AG000420 MDL No:
Product Description
Catalog Number:
AG000420
Chemical Name:
Piperidinium, 1-methyl-1-(1-methylethyl)-4-phenyl-, iodide (1:1)
CAS Number:
10125-84-5
Molecular Formula:
C15H24IN
Molecular Weight:
345.2622
IUPAC Name:
1-methyl-4-phenyl-1-propan-2-ylpiperidin-1-ium;iodide
InChI:
InChI=1S/C15H24N.HI/c1-13(2)16(3)11-9-15(10-12-16)14-7-5-4-6-8-14;/h4-8,13,15H,9-12H2,1-3H3;1H/q+1;/p-1
InChI Key:
WSGCGMGMFSSTNK-UHFFFAOYSA-M
SMILES:
CC([N+]1(C)CCC(CC1)c1ccccc1)C.[I-]
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.268g/mol
Monoisotopic Mass:
345.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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