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88973-10-8 | Quinolinium,1-methyl-2-[2-(methylthio)-2-(1-piperidinyl)ethenyl]-, iodide (1:1)
CAS No: 88973-10-8 Catalog No: AG0045RU MDL No:
Product Description
Catalog Number:
AG0045RU
Chemical Name:
Quinolinium,1-methyl-2-[2-(methylthio)-2-(1-piperidinyl)ethenyl]-, iodide (1:1)
CAS Number:
88973-10-8
Molecular Formula:
C18H23N2S+
Molecular Weight:
299.4536
IUPAC Name:
1-methyl-2-[(E)-2-methylsulfanyl-2-piperidin-1-ylethenyl]quinolin-1-ium;iodide
InChI:
InChI=1S/C18H23N2S.HI/c1-19-16(11-10-15-8-4-5-9-17(15)19)14-18(21-2)20-12-6-3-7-13-20;/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3;1H/q+1;/p-1
InChI Key:
GDAYFNYXYZQOQL-UHFFFAOYSA-M
SMILES:
CSC(=Cc1ccc2c([n+]1C)cccc2)N1CCCCC1
NSC Number:
336019
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
426.063g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.36g/mol
Monoisotopic Mass:
426.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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