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116169-74-5 | Pyrrolidinium, 1-[2-(diphenylmethoxy)ethyl]-1-methyl-, iodide (1:1)
CAS No: 116169-74-5 Catalog No: AG000BT7 MDL No:
Product Description
Catalog Number:
AG000BT7
Chemical Name:
Pyrrolidinium, 1-[2-(diphenylmethoxy)ethyl]-1-methyl-, iodide (1:1)
CAS Number:
116169-74-5
Molecular Formula:
C20H26INO
Molecular Weight:
423.3310
IUPAC Name:
1-(2-benzhydryloxyethyl)-1-methylpyrrolidin-1-ium;iodide
InChI:
InChI=1S/C20H26NO.HI/c1-21(14-8-9-15-21)16-17-22-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2-7,10-13,20H,8-9,14-17H2,1H3;1H/q+1;/p-1
InChI Key:
OARCLKGVNQZDBT-UHFFFAOYSA-M
SMILES:
C[N+]1(CCOC(c2ccccc2)c2ccccc2)CCCC1.[I-]
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.338g/mol
Monoisotopic Mass:
423.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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