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89645-97-6 | Quinolinium, 1-[(octylthio)methyl]-, chloride
CAS No: 89645-97-6 Catalog No: AG003VVO MDL No:
Product Description
Catalog Number:
AG003VVO
Chemical Name:
Quinolinium, 1-[(octylthio)methyl]-, chloride
CAS Number:
89645-97-6
Molecular Formula:
C18H26ClNS
Molecular Weight:
323.9237
IUPAC Name:
1-(octylsulfanylmethyl)quinolin-1-ium;chloride
InChI:
InChI=1S/C18H26NS.ClH/c1-2-3-4-5-6-9-15-20-16-19-14-10-12-17-11-7-8-13-18(17)19;/h7-8,10-14H,2-6,9,15-16H2,1H3;1H/q+1;/p-1
InChI Key:
GHERGFIVNXWHLY-UHFFFAOYSA-M
SMILES:
CCCCCCCCSC[n+]1cccc2c1cccc2.[Cl-]
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.923g/mol
Monoisotopic Mass:
323.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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