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157199-63-8 | 3-METHYL-2-((E)-3-[1-[3-(TRIMETHYLAMMONIO)PROPYL]-4(1H)-QUINOLINYLIDENE]-1-PROPENYL)-1,3-BENZOTHIAZOL-3-IUM DIIODIDE
CAS No: 157199-63-8 Catalog No: AG00B94A MDL No:
Product Description
Catalog Number:
AG00B94A
Chemical Name:
3-METHYL-2-((E)-3-[1-[3-(TRIMETHYLAMMONIO)PROPYL]-4(1H)-QUINOLINYLIDENE]-1-PROPENYL)-1,3-BENZOTHIAZOL-3-IUM DIIODIDE
CAS Number:
157199-63-8
IUPAC Name:
trimethyl-[3-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propyl]azanium;diiodide
InChI:
InChI=1S/C26H31N3S.2HI/c1-27-24-14-7-8-15-25(24)30-26(27)16-9-11-21-17-19-28(18-10-20-29(2,3)4)23-13-6-5-12-22(21)23;;/h5-9,11-17,19H,10,18,20H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
QHNORJFCVHUPNH-UHFFFAOYSA-L
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
671.033g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
671.424g/mol
Monoisotopic Mass:
671.033g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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