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65745-71-3 | Isoquinolinium, 3,4-dihydro-6,7-dimethoxy-2-(phenylmethyl)-
CAS No: 65745-71-3 Catalog No: AG006OTC MDL No:
Product Description
Catalog Number:
AG006OTC
Chemical Name:
Isoquinolinium, 3,4-dihydro-6,7-dimethoxy-2-(phenylmethyl)-
CAS Number:
65745-71-3
Molecular Formula:
C18H20NO2+
Molecular Weight:
282.3569
IUPAC Name:
2-benzyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium
InChI:
InChI=1S/C18H20NO2/c1-20-17-10-15-8-9-19(12-14-6-4-3-5-7-14)13-16(15)11-18(17)21-2/h3-7,10-11,13H,8-9,12H2,1-2H3/q+1
InChI Key:
UWDOBVKRBKUGSJ-UHFFFAOYSA-N
SMILES:
COc1cc2C=[N+](CCc2cc1OC)Cc1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.149g/mol
Formal Charge:
1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.363g/mol
Monoisotopic Mass:
282.149g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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