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32381-60-5 | Pyrrolidinium,1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methyl-, iodide, (R)- (9CI)
CAS No: 32381-60-5 Catalog No: AG007GKA MDL No:
Product Description
Catalog Number:
AG007GKA
Chemical Name:
Pyrrolidinium,1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methyl-, iodide, (R)- (9CI)
CAS Number:
32381-60-5
Molecular Formula:
C20H32INO
Molecular Weight:
429.3787
IUPAC Name:
(1R)-1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol;iodide
InChI:
InChI=1S/C20H32NO.HI/c1-21(15-8-9-16-21)17-14-20(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2,4-5,10-11,19,22H,3,6-9,12-17H2,1H3;1H/q+1;/p-1/t20-;/m0./s1
InChI Key:
KKNHYFDAGNWDPZ-BDQAORGHSA-M
SMILES:
C[N+]1(CCCC1)CC[C@](c1ccccc1)(C1CCCCC1)O.[I-]
UNII:
OT8267U3AB
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
429.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
429.386g/mol
Monoisotopic Mass:
429.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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