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157199-59-2 | 3-METHYL-2-([1-[3-(TRIMETHYLAMMONIO)PROPYL]-4(1H)-QUINOLINYLIDENE]METHYL)-1,3-BENZOTHIAZOL-3-IUM DIIODIDE
CAS No: 157199-59-2 Catalog No: AG00B949 MDL No:
Product Description
Catalog Number:
AG00B949
Chemical Name:
3-METHYL-2-([1-[3-(TRIMETHYLAMMONIO)PROPYL]-4(1H)-QUINOLINYLIDENE]METHYL)-1,3-BENZOTHIAZOL-3-IUM DIIODIDE
CAS Number:
157199-59-2
IUPAC Name:
trimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium;diiodide
InChI:
InChI=1S/C24H29N3S.2HI/c1-25-22-12-7-8-13-23(22)28-24(25)18-19-14-16-26(15-9-17-27(2,3)4)21-11-6-5-10-20(19)21;;/h5-8,10-14,16,18H,9,15,17H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
DPXHITFUCHFTKR-UHFFFAOYSA-L
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
645.017g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
645.386g/mol
Monoisotopic Mass:
645.017g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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