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1265911-67-8 | 1,1'-(butane-1,4-diyl)bis(4-methylquinolin-1-ium) 4-methylbenzenesulfonate
CAS No: 1265911-67-8 Catalog No: AG018SIK MDL No:MFCD00182027
Product Description
Catalog Number:
AG018SIK
Chemical Name:
1,1'-(butane-1,4-diyl)bis(4-methylquinolin-1-ium) 4-methylbenzenesulfonate
CAS Number:
1265911-67-8
Molecular Formula:
C24H26N2++
Molecular Weight:
342.4766
MDL Number:
MFCD00182027
IUPAC Name:
4-methylbenzenesulfonate;4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium
InChI:
InChI=1S/C24H26N2.2C7H8O3S/c1-19-13-17-25(23-11-5-3-9-21(19)23)15-7-8-16-26-18-14-20(2)22-10-4-6-12-24(22)26;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-6,9-14,17-18H,7-8,15-16H2,1-2H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2
InChI Key:
YDPGNOQMPYACHP-UHFFFAOYSA-L
SMILES:
Cc1cc[n+](c2c1cccc2)CCCC[n+]1ccc(c2c1cccc2)C
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
684.233g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
684.866g/mol
Monoisotopic Mass:
684.233g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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