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110241-44-6 | Quinolinium, 4-[2-[4-(dimethoxymethyl)phenyl]ethenyl]-1-methyl-, methylsulfate
CAS No: 110241-44-6 Catalog No: AG007VBU MDL No:
Product Description
Catalog Number:
AG007VBU
Chemical Name:
Quinolinium, 4-[2-[4-(dimethoxymethyl)phenyl]ethenyl]-1-methyl-, methylsulfate
CAS Number:
110241-44-6
Molecular Formula:
C22H25NO6S
Molecular Weight:
431.5020
IUPAC Name:
4-[2-[4-(dimethoxymethyl)phenyl]ethenyl]-1-methylquinolin-1-ium;methyl sulfate
InChI:
InChI=1S/C21H22NO2.CH4O4S/c1-22-15-14-17(19-6-4-5-7-20(19)22)11-8-16-9-12-18(13-10-16)21(23-2)24-3;1-5-6(2,3)4/h4-15,21H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
HXZPDNFCAQOLIB-UHFFFAOYSA-M
SMILES:
COS(=O)(=O)[O-].COC(c1ccc(cc1)C=Cc1cc[n+](c2c1cccc2)C)OC
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.14g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.503g/mol
Monoisotopic Mass:
431.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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