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82815-15-4 | Quinolinium, 3,4-dimethyl-1-(phenylmethyl)-, perchlorate
CAS No: 82815-15-4 Catalog No: AG008IG1 MDL No:
Product Description
Catalog Number:
AG008IG1
Chemical Name:
Quinolinium, 3,4-dimethyl-1-(phenylmethyl)-, perchlorate
CAS Number:
82815-15-4
Molecular Formula:
C18H18ClNO4
Molecular Weight:
347.7928
IUPAC Name:
1-benzyl-3,4-dimethylquinolin-1-ium;perchlorate
InChI:
InChI=1S/C18H18N.ClHO4/c1-14-12-19(13-16-8-4-3-5-9-16)18-11-7-6-10-17(18)15(14)2;2-1(3,4)5/h3-12H,13H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
KCMUUESDCCIOEX-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1c(C)c[n+](c2c1cccc2)Cc1ccccc1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.092g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.795g/mol
Monoisotopic Mass:
347.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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