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69735-34-8 | (R)-1,2,3,4,5,6,7,8-Octahydro-1-(4-methoxybenzyl)isoquinolinium chloride
CAS No: 69735-34-8 Catalog No: AG005UCH MDL No:
Product Description
Catalog Number:
AG005UCH
Chemical Name:
(R)-1,2,3,4,5,6,7,8-Octahydro-1-(4-methoxybenzyl)isoquinolinium chloride
CAS Number:
69735-34-8
Molecular Formula:
C17H24ClNO
Molecular Weight:
293.8316
IUPAC Name:
(1R)-1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline;chloride
InChI:
InChI=1S/C17H23NO.ClH/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17;/h6-9,17-18H,2-5,10-12H2,1H3;1H/p-1/t17-;/m1./s1
InChI Key:
KPOHPPSNWPXYNT-UNTBIKODSA-M
SMILES:
COc1ccc(cc1)C[C@H]1[NH2+]CCC2=C1CCCC2.[Cl-]
EC Number:
274-099-6
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
292.147g/mol
Formal Charge:
-1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.827g/mol
Monoisotopic Mass:
292.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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