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169454-13-1 | 2-([1-(3-[[3-(DIMETHYL(3-[4-[(3-METHYL-1,3-BENZOTHIAZOL-3-IUM-2-YL)METHYLENE]-1(4H)-PYRIDINYL]PROPYL)AMMONIO)PROPYL](DIMETHYL)AMMONIO]PROPYL)-4(1H)-PYRIDINYLIDENE]METHYL)-3-METHYL-1,3-BENZOTHIAZOL-3-IUM TETRAIODIDE
CAS No: 169454-13-1 Catalog No: AG00B08P MDL No:
Product Description
Catalog Number:
AG00B08P
Chemical Name:
2-([1-(3-[[3-(DIMETHYL(3-[4-[(3-METHYL-1,3-BENZOTHIAZOL-3-IUM-2-YL)METHYLENE]-1(4H)-PYRIDINYL]PROPYL)AMMONIO)PROPYL](DIMETHYL)AMMONIO]PROPYL)-4(1H)-PYRIDINYLIDENE]METHYL)-3-METHYL-1,3-BENZOTHIAZOL-3-IUM TETRAIODIDE
CAS Number:
169454-13-1
IUPAC Name:
3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]propyl]azanium;tetraiodide
InChI:
InChI=1S/C41H54N6S2.4HI/c1-42-36-14-7-9-16-38(36)48-40(42)32-34-18-24-44(25-19-34)22-11-28-46(3,4)30-13-31-47(5,6)29-12-23-45-26-20-35(21-27-45)33-41-43(2)37-15-8-10-17-39(37)49-41;;;;/h7-10,14-21,24-27,32-33H,11-13,22-23,28-31H2,1-6H3;4*1H/q+4;;;;/p-4
InChI Key:
TYBKADJAOBUHAD-UHFFFAOYSA-J
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1202.003g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1202.663g/mol
Monoisotopic Mass:
1202.003g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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