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20048-92-4 | Quinolinium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)
CAS No: 20048-92-4 Catalog No: AG002CSS MDL No:
Product Description
Catalog Number:
AG002CSS
Chemical Name:
Quinolinium, 1-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1)
CAS Number:
20048-92-4
Molecular Formula:
C19H21NO3S
Molecular Weight:
343.4399
IUPAC Name:
1-ethyl-2-methylquinolin-1-ium;4-methylbenzenesulfonate
InChI:
InChI=1S/C12H14N.C7H8O3S/c1-3-13-10(2)8-9-11-6-4-5-7-12(11)13;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
WUMNSSKPKRSZJL-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)S(=O)(=O)[O-].CC[n+]1c(C)ccc2c1cccc2
EC Number:
243-484-0
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.124g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.441g/mol
Monoisotopic Mass:
343.124g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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